ChemDiv1_001714
TL;DR: ChemDiv1_001714 (CAS 310454-22-9) is a chemical compound with molecular formula C20H15BrClN3O2S and molecular weight 474.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_001714, BAS 00865547, AB00080134-01, AB00080134-02, N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
| Molecular Formula | C20H15BrClN3O2S |
|---|---|
| Molecular Weight | 474.98 g/mol |
| LogP | 4.81308 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.97568 |
| Heavy Atoms | 28 |
| Complexity | 985.6905 |
Chemical Identifiers
| CAS Number | 310454-22-9 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_001714 (CAS 310454-22-9), with molecular formula C20H15BrClN3O2S and molecular weight 474.98 g/mol. IUPAC: N-(4-bromophenyl)-2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_001714
Property Insights of ChemDiv1_001714
The XLogP value of 4.81308 indicates that ChemDiv1_001714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001714. Following Lipinski's Rule of Five, ChemDiv1_001714 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 ChemDiv1_001714?
The CAS number of ChemDiv1_001714 is 310454-22-9.
What is the molecular formula of ChemDiv1_001714?
The molecular formula of ChemDiv1_001714 is C20H15BrClN3O2S.
What is the molecular weight of ChemDiv1_001714?
The molecular weight of ChemDiv1_001714 is 474.98 g/mol.
Where can I buy ChemDiv1_001714?
You can request a quote for ChemDiv1_001714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001714?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.