![Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate structure](/static/products/3384/338406-82-9.webp)
Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate
TL;DR: Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate (CAS 338406-82-9) is a chemical compound with molecular formula C17H15ClF3NO4S and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoate
Also Known As: Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate, 3H-017, methyl 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(phenylsulfonyl)butanoate, Methyl4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate
| Molecular Formula | C17H15ClF3NO4S |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 4.222 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.03625 |
| Heavy Atoms | 27 |
| Complexity | 917.52094 |
Chemical Identifiers
| CAS Number | 338406-82-9 |
|---|---|
| SMILES | COC(=O)CCC(C1=C(C=C(C=N1)C(F)(F)F)Cl)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate (CAS 338406-82-9), with molecular formula C17H15ClF3NO4S and molecular weight 421.04 g/mol. IUPAC: methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoate.
Chemical Property Profile of Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate
Property Insights of Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate
The XLogP value of 4.222 indicates that Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate. Following Lipinski's Rule of Five, Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate has 0 hydrogen bond donor(s) and 5 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 Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate?
The CAS number of Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate is 338406-82-9.
What is the molecular formula of Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate?
The molecular formula of Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate is C17H15ClF3NO4S.
What is the molecular weight of Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate?
The molecular weight of Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate is 421.04 g/mol.
Where can I buy Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate?
You can request a quote for Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.