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N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide
TL;DR: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide (CAS 701282-84-0) is a chemical compound with molecular formula C21H26N2O3S2 and molecular weight 418.14 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-phenylsulfanylpropanamide
Also Known As: AO-081/42496454, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide, N-[4-(1-azepanylsulfonyl)phenyl]-2-(phenylsulfanyl)propanamide, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(phenylsulfanyl)propanamide
| Molecular Formula | C21H26N2O3S2 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.3706 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1385 |
| Heavy Atoms | 28 |
| Complexity | 875.6265 |
Chemical Identifiers
| CAS Number | 701282-84-0 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=CC=CC=C3 |
Product Overview
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide (CAS 701282-84-0), with molecular formula C21H26N2O3S2 and molecular weight 418.14 g/mol. IUPAC: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide.
Chemical Property Profile of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide
Property Insights of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide
The XLogP value of 4.3706 indicates that N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide. Following Lipinski's Rule of Five, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide 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 N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide?
The CAS number of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide is 701282-84-0.
What is the molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide?
The molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide is C21H26N2O3S2.
What is the molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide?
The molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide is 418.14 g/mol.
Where can I buy N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide?
You can request a quote for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide 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-phenylsulfanylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.