N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide
TL;DR: N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide (CAS 727660-17-5) is a chemical compound with molecular formula C18H27N3O3S2 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-methylbutanamide
Also Known As: N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide, 1-[4-(AZEPANE-1-SULFONYL)PHENYL]-3-(3-METHYLBUTANOYL)THIOUREA, AN-329/42607810, N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-methylbutanamide, F1723-0177
| Molecular Formula | C18H27N3O3S2 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.1104 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.14938 |
| Heavy Atoms | 26 |
| Complexity | 722.55316 |
Chemical Identifiers
| CAS Number | 727660-17-5 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 |
Product Overview
N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide (CAS 727660-17-5), with molecular formula C18H27N3O3S2 and molecular weight 397.15 g/mol. IUPAC: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-methylbutanamide.
Chemical Property Profile of N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide
Property Insights of N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide
The XLogP value of 3.1104 indicates that N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide. Following Lipinski's Rule of Five, N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide has 2 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)carbamothioyl)-3-methylbutanamide?
The CAS number of N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide is 727660-17-5.
What is the molecular formula of N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide?
The molecular formula of N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide is C18H27N3O3S2.
What is the molecular weight of N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide?
The molecular weight of N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide is 397.15 g/mol.
Where can I buy N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide?
You can request a quote for N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide 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)carbamothioyl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(azepan-1-ylsulfonyl)phenyl)carbamothioyl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.