![Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate structure](/static/products/343/34313-71-8.png)
Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate
TL;DR: Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate (CAS 34313-71-8) is a chemical compound with molecular formula C18H20ClNO4S and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)butanoate
Also Known As: methyl 3-{(3-chlorophenyl)[(4-methylphenyl)sulfonyl]amino}butanoate, methyl 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)butanoate, Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate, methyl 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)butanoa, Methyl 3-[N-(3-chlorophenyl)-4-methylbenzene-1-sulfonamido]butanoate
| Molecular Formula | C18H20ClNO4S |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.08017 |
| Heavy Atoms | 25 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 34313-71-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)Cl)C(C)CC(=O)OC |
| InChIKey | UQVFKHFDIJAEAW-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate (CAS 34313-71-8), with molecular formula C18H20ClNO4S and molecular weight 381.08 g/mol. IUPAC: methyl 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)butanoate.
Chemical Property Profile of Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate
Property Insights of Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate
The XLogP value of 3.9 indicates that Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate. Following Lipinski's Rule of Five, Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]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 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate?
The CAS number of Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate is 34313-71-8.
What is the molecular formula of Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate?
The molecular formula of Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate is C18H20ClNO4S.
What is the molecular weight of Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate?
The molecular weight of Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate is 381.08 g/mol.
Where can I buy Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate?
You can request a quote for Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-chlorophenyl)(4-methylbenzene-1-sulfonyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.