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N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide
TL;DR: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide (CAS 701228-91-3) is a chemical compound with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide
Also Known As: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide, N-[4-(1-azepanylsulfonyl)phenyl]-2-(benzylsulfonyl)acetamide, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzylsulfonyl)acetamide, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonyl-acetamide, N-[4-(1-azepanylsulfonyl)phenyl]-2-(phenylmethyl)sulfonylacetamide
| Molecular Formula | C21H26N2O5S2 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 2.8048 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.12833 |
| Heavy Atoms | 30 |
| Complexity | 1058.1396 |
Chemical Identifiers
| CAS Number | 701228-91-3 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 |
Product Overview
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide (CAS 701228-91-3), with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol. IUPAC: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide.
Chemical Property Profile of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide
Property Insights of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide
The XLogP value of 2.8048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide. Following Lipinski's Rule of Five, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide 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 N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide?
The CAS number of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide is 701228-91-3.
What is the molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide?
The molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide is C21H26N2O5S2.
What is the molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide?
The molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide is 450.13 g/mol.
Where can I buy N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide?
You can request a quote for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.