Home Deuterated Building Blocks 42399-49-5
42399-49-5,MFCD01321316
Catalog No.:AA00329Q

42399-49-5 | (2S-Cis)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
99%
in stock  
$8.00   $6.00
- +
25g
99%
in stock  
$14.00   $10.00
- +
100g
99%
in stock  
$38.00   $27.00
- +
500g
99%
in stock  
$131.00   $92.00
- +
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Technical Information
Catalog Number:
AA00329Q
Chemical Name:
(2S-Cis)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one
CAS Number:
42399-49-5
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
MDL Number:
MFCD01321316
SMILES:
COc1ccc(cc1)[C@@H]1Sc2ccccc2NC(=O)[C@@H]1O
Properties
Properties
 
BP:
545.4°C at 760 mmHg  
Form:
Solid  
MP:
203-206 °C(lit.)  
Refractive Index:
114 ° (C=0.5, MeOH)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
371  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.3  

Literature
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Additional Info:
SDS
Tags:42399-49-5 Molecular Formula|42399-49-5 MDL|42399-49-5 SMILES|42399-49-5 (2S-Cis)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one