![4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid structure](/static/products/3384/338407-19-5.webp)
4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid
TL;DR: 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid (CAS 338407-19-5) is a chemical compound with molecular formula C16H13ClF3NO4S and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid
Also Known As: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(phenylsulfonyl)butanoic acid, 3-Chloro-I(3)-(phenylsulfonyl)-5-(trifluoromethyl)-2-pyridinebutanoic acid, 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoicacid
| Molecular Formula | C16H13ClF3NO4S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 4.1336 |
| Topological Polar Surface Area | 84.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.0206 |
| Heavy Atoms | 26 |
| Complexity | 901.45605 |
Chemical Identifiers
| CAS Number | 338407-19-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid (CAS 338407-19-5), with molecular formula C16H13ClF3NO4S and molecular weight 407.02 g/mol. IUPAC: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid.
Chemical Property Profile of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid
Property Insights of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid
The XLogP value of 4.1336 indicates that 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid?
The CAS number of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid is 338407-19-5.
What is the molecular formula of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid?
The molecular formula of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid is C16H13ClF3NO4S.
What is the molecular weight of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid?
The molecular weight of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid is 407.02 g/mol.
Where can I buy 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid?
You can request a quote for 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.