ChemDiv1_001582
TL;DR: ChemDiv1_001582 (CAS 264254-98-0) is a chemical compound with molecular formula C20H16BrN3O3S and molecular weight 457.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_001582, BAS 00865704, N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-((3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-(4-bromophenyl)-2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
| Molecular Formula | C20H16BrN3O3S |
|---|---|
| Molecular Weight | 457.01 g/mol |
| LogP | 3.86528 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.00958 |
| Heavy Atoms | 28 |
| Complexity | 965.6856 |
Chemical Identifiers
| CAS Number | 264254-98-0 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=C(C=C3)O |
Product Overview
ChemDiv1_001582 (CAS 264254-98-0), with molecular formula C20H16BrN3O3S and molecular weight 457.01 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_001582
Property Insights of ChemDiv1_001582
The XLogP value of 3.86528 indicates that ChemDiv1_001582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001582. Following Lipinski's Rule of Five, ChemDiv1_001582 has 3 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 ChemDiv1_001582?
The CAS number of ChemDiv1_001582 is 264254-98-0.
What is the molecular formula of ChemDiv1_001582?
The molecular formula of ChemDiv1_001582 is C20H16BrN3O3S.
What is the molecular weight of ChemDiv1_001582?
The molecular weight of ChemDiv1_001582 is 457.01 g/mol.
Where can I buy ChemDiv1_001582?
You can request a quote for ChemDiv1_001582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001582?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.