![N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide structure](/static/products/6429/642970-57-8.webp)
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
TL;DR: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide (CAS 642970-57-8) is a chemical compound with molecular formula C21H24BrN3O4S2 and molecular weight 525.04 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-bromo-4-methoxybenzamide
Also Known As: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide, N-({[4-(1-azepanylsulfonyl)phenyl]amino}carbonothioyl)-3-bromo-4-methoxybenzamide, N-{[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl}-3-bromo-4-methoxybenzamide, benzamide, 3-bromo-N-[[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]thioxomethyl]-4-methoxy-
| Molecular Formula | C21H24BrN3O4S2 |
|---|---|
| Molecular Weight | 525.04 g/mol |
| LogP | 4.1492 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.0392 |
| Heavy Atoms | 31 |
| Complexity | 1050.7946 |
Chemical Identifiers
| CAS Number | 642970-57-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br |
Product Overview
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide (CAS 642970-57-8), with molecular formula C21H24BrN3O4S2 and molecular weight 525.04 g/mol. IUPAC: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide.
Chemical Property Profile of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
Property Insights of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
The XLogP value of 4.1492 indicates that N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
The CAS number of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is 642970-57-8.
What is the molecular formula of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
The molecular formula of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is C21H24BrN3O4S2.
What is the molecular weight of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
The molecular weight of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is 525.04 g/mol.
Where can I buy N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
You can request a quote for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide 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-bromo-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.