![Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate structure](/static/products/850/850654-32-9.png)
Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate
TL;DR: Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate (CAS 850654-32-9) is a chemical compound with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate
Also Known As: Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate, Methyl 4-{[4-(azepane-1-sulfonyl)benzamido]methyl}benzoate
| Molecular Formula | C22H26N2O5S |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 2.9679 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.15625 |
| Heavy Atoms | 30 |
| Complexity | 977.1929 |
Chemical Identifiers
| CAS Number | 850654-32-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate (CAS 850654-32-9), with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol. IUPAC: methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate.
Chemical Property Profile of Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate
Property Insights of Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate
The XLogP value of 2.9679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate has 1 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-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate?
The CAS number of Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate is 850654-32-9.
What is the molecular formula of Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate?
The molecular formula of Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate is C22H26N2O5S.
What is the molecular weight of Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate?
The molecular weight of Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate is 430.16 g/mol.
Where can I buy Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate?
You can request a quote for Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate 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)benzoyl]amino]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.