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1802013-08-6,MFCD30720887
Catalog No.:AA01E3AB

1802013-08-6 | 7-​Chloro-​1,​5-​dihydro-​5-​[2-​(1-​methylethyl)​phenyl]​-4,​1-benzothiazepin-​2(3H)​-​one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98% by HPLC
in stock  
$103.00   $72.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01E3AB
Chemical Name:
7-​Chloro-​1,​5-​dihydro-​5-​[2-​(1-​methylethyl)​phenyl]​-4,​1-benzothiazepin-​2(3H)​-​one
CAS Number:
1802013-08-6
Molecular Formula:
C18H18ClNOS
Molecular Weight:
331.8596
MDL Number:
MFCD30720887
SMILES:
O=C1CSC(c2c(N1)ccc(c2)Cl)c1ccccc1C(C)C
Properties
Computed Properties
 
Complexity:
403  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.8  

Literature
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SDS
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Tags:1802013-08-6 Molecular Formula|1802013-08-6 MDL|1802013-08-6 SMILES|1802013-08-6 7-​Chloro-​1,​5-​dihydro-​5-​[2-​(1-​methylethyl)​phenyl]​-4,​1-benzothiazepin-​2(3H)​-​one
Catalog No.: AA01E3AB
1802013-08-6,MFCD30720887
1802013-08-6 | 7-​Chloro-​1,​5-​dihydro-​5-​[2-​(1-​methylethyl)​phenyl]​-4,​1-benzothiazepin-​2(3H)​-​one
Pack Size： 1mg
Purity： 98% by HPLC
in stock
$103.00 $72.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01E3AB
Chemical Name: 7-​Chloro-​1,​5-​dihydro-​5-​[2-​(1-​methylethyl)​phenyl]​-4,​1-benzothiazepin-​2(3H)​-​one
CAS Number: 1802013-08-6
Molecular Formula: C18H18ClNOS
Molecular Weight: 331.8596
MDL Number: MFCD30720887
SMILES: O=C1CSC(c2c(N1)ccc(c2)Cl)c1ccccc1C(C)C
Properties
Complexity: 403  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.8  
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