Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate
TL;DR: Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate (CAS 768290-81-9) is a chemical compound with molecular formula C21H23N3O7S and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate, methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitrobenzoate, methyl 3-{[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl}-5-nitrobenzoate, METHYL 3-{[4-(1-AZEPANYLSULFONYL)ANILINO]CARBONYL}-5-NITROBENZOATE, methyl 5-{N-[4-(azaperhydroepinylsulfonyl)phenyl]carbamoyl}-3-nitrobenzoate
| Molecular Formula | C21H23N3O7S |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 3.1984 |
| Topological Polar Surface Area | 135.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.12567 |
| Heavy Atoms | 32 |
| Complexity | 1122.5823 |
Chemical Identifiers
| CAS Number | 768290-81-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-] |
Product Overview
Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate (CAS 768290-81-9), with molecular formula C21H23N3O7S and molecular weight 461.13 g/mol. IUPAC: methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate
Property Insights of Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate
The XLogP value of 3.1984 indicates that Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate has 1 hydrogen bond donor(s) and 7 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-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate?
The CAS number of Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate is 768290-81-9.
What is the molecular formula of Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate?
The molecular formula of Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate is C21H23N3O7S.
What is the molecular weight of Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate?
The molecular weight of Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate is 461.13 g/mol.
Where can I buy Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate?
You can request a quote for Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((4-(azepan-1-ylsulfonyl)phenyl)carbamoyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.