![3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine structure](/static/products/866/866150-90-5.png)
3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine
TL;DR: 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine (CAS 866150-90-5) is a chemical compound with molecular formula C20H17BrClN3O3S and molecular weight 492.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1-(pyridin-3-ylmethyl)urea
Also Known As: 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine, 1-(4-bromo-2-chlorophenyl)-3-(4-methylbenzenesulfonyl)-1-[(pyridin-3-yl)methyl]urea, 1-(4-bromo-2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1-(pyridin-3-ylmethyl)urea, 1-(4-bromo-2-chloro-phenyl)-3-(4-methylphenyl)sulfonyl-1-(pyridin-3-ylmethyl)urea
| Molecular Formula | C20H17BrClN3O3S |
|---|---|
| Molecular Weight | 492.99 g/mol |
| LogP | 4.91102 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.98624 |
| Heavy Atoms | 29 |
| Complexity | 1123.4681 |
Chemical Identifiers
| CAS Number | 866150-90-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC2=CN=CC=C2)C3=C(C=C(C=C3)Br)Cl |
Product Overview
3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine (CAS 866150-90-5), with molecular formula C20H17BrClN3O3S and molecular weight 492.99 g/mol. IUPAC: 1-(4-bromo-2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1-(pyridin-3-ylmethyl)urea.
Chemical Property Profile of 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine
Property Insights of 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine
The XLogP value of 4.91102 indicates that 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine. Following Lipinski's Rule of Five, 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine 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 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine?
The CAS number of 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine is 866150-90-5.
What is the molecular formula of 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine?
The molecular formula of 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine is C20H17BrClN3O3S.
What is the molecular weight of 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine?
The molecular weight of 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine is 492.99 g/mol.
Where can I buy 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine?
You can request a quote for 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-bromo-2-chloro({[(4-methylphenyl)sulfonyl]amino}carbonyl)anilino]methyl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.