![2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate structure](/static/products/683/68305-77-1.png)
2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate
TL;DR: 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate (CAS 68305-77-1) is a chemical compound with molecular formula C12H15ClNO4S- and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate
Also Known As: (2S)-2-(4-Chlorobenzene-1-sulfonamido)-4-methylpentanoate, (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate, 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate
| Molecular Formula | C12H15ClNO4S- |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 0.7829 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.04105 |
| Heavy Atoms | 19 |
| Complexity | 539.3527 |
Chemical Identifiers
| CAS Number | 68305-77-1 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)Cl |
Product Overview
2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate (CAS 68305-77-1), with molecular formula C12H15ClNO4S- and molecular weight 304.04 g/mol. IUPAC: (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate.
Chemical Property Profile of 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate
Property Insights of 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate
The XLogP value of 0.7829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate. Following Lipinski's Rule of Five, 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate 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 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate?
The CAS number of 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate is 68305-77-1.
What is the molecular formula of 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate?
The molecular formula of 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate is C12H15ClNO4S-.
What is the molecular weight of 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate?
The molecular weight of 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate is 304.04 g/mol.
Where can I buy 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate?
You can request a quote for 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorobenzene-1-sulfonyl)amino]-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.