![Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate structure](/static/products/3270/327067-08-3.webp)
Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
TL;DR: Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate (CAS 327067-08-3) is a chemical compound with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
Also Known As: methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate, BAS 01110280, AN-329/12987057, F1443-7151, methyl 4-((4-(azepan-1-ylsulfonyl)phenyl)amino)-4-oxobutanoate
| Molecular Formula | C17H24N2O5S |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.1406 |
| Heavy Atoms | 25 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 327067-08-3 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 |
| InChIKey | QPYUXPFHBOENOJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate (CAS 327067-08-3), with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol. IUPAC: methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
Property Insights of Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate has 1 hydrogen bond donor(s) and 6 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-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate?
The CAS number of Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate is 327067-08-3.
What is the molecular formula of Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate?
The molecular formula of Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate is C17H24N2O5S.
What is the molecular weight of Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate?
The molecular weight of Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate is 368.14 g/mol.
Where can I buy Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate?
You can request a quote for Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.