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1002101-19-0,MFCD24480577
Catalog No.:AA00016L
1002101-19-0 | Benzeneacetic acid, 3-pentyl-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$1,510.00
- +
500mg
95.0%
3 weeks  
$2,360.00
- +
1g
95.0%
3 weeks  
$3,018.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00016L
Chemical Name:
Benzeneacetic acid, 3-pentyl-
CAS Number:
1002101-19-0
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD24480577
IUPAC Name:
2-(3-pentylphenyl)acetic acid
InChI:
InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
InChI Key:
PEGQOIGYZLJMIB-UHFFFAOYSA-N
SMILES:
CCCCCc1cccc(c1)CC(=O)O
UNII:
879OVM0Y1S
Properties
Computed Properties
 
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
2-(3-Pentylphenyl)acetic acid 
3-Pentylbenzeneacetic acid 
PBI4050 
ZINC113492390 
3-pentylbenzeneaceticacid 
UNII-879OVM0Y1S 
879OVM0Y1S 
PBI-4050 
1002101-19-0 
setogepram (proposed INN) 
SCHEMBL289216 
Benzeneacetic acid, 3-pentyl- 
GTPL10043 
Literature

Title: Fatty acid receptor modulator PBI-4050 inhibits kidney fibrosis and improves glycemic control.

Journal: JCI insight 20180517

Title: A Newly Discovered Antifibrotic Pathway Regulated by Two Fatty Acid Receptors: GPR40 and GPR84.

Journal: The American journal of pathology 20180501

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