ChemDiv1_009202
TL;DR: ChemDiv1_009202 (CAS 332051-83-9) is a chemical compound with molecular formula C22H20BrN3O4S and molecular weight 501.04 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-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_009202, BAS 00866261, CC 9093, N-(4-bromophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, F0192-0358
| Molecular Formula | C22H20BrN3O4S |
|---|---|
| Molecular Weight | 501.04 g/mol |
| LogP | 4.26398 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.0358 |
| Heavy Atoms | 31 |
| Complexity | 1063.416 |
Chemical Identifiers
| CAS Number | 332051-83-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)O |
Product Overview
ChemDiv1_009202 (CAS 332051-83-9), with molecular formula C22H20BrN3O4S and molecular weight 501.04 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_009202
Property Insights of ChemDiv1_009202
The XLogP value of 4.26398 indicates that ChemDiv1_009202 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009202. Following Lipinski's Rule of Five, ChemDiv1_009202 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009202?
The CAS number of ChemDiv1_009202 is 332051-83-9.
What is the molecular formula of ChemDiv1_009202?
The molecular formula of ChemDiv1_009202 is C22H20BrN3O4S.
What is the molecular weight of ChemDiv1_009202?
The molecular weight of ChemDiv1_009202 is 501.04 g/mol.
Where can I buy ChemDiv1_009202?
You can request a quote for ChemDiv1_009202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009202?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.