ChemDiv1_002013
TL;DR: ChemDiv1_002013 (CAS 330180-07-9) is a chemical compound with molecular formula C21H18BrN3O3S and molecular weight 471.03 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-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_002013, BAS 00865633, A1936/0081446, N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide
| Molecular Formula | C21H18BrN3O3S |
|---|---|
| Molecular Weight | 471.03 g/mol |
| LogP | 4.16828 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.02524 |
| Heavy Atoms | 29 |
| Complexity | 998.9761 |
Chemical Identifiers
| CAS Number | 330180-07-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_002013 (CAS 330180-07-9), with molecular formula C21H18BrN3O3S and molecular weight 471.03 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_002013
Property Insights of ChemDiv1_002013
The XLogP value of 4.16828 indicates that ChemDiv1_002013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002013. Following Lipinski's Rule of Five, ChemDiv1_002013 has 2 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_002013?
The CAS number of ChemDiv1_002013 is 330180-07-9.
What is the molecular formula of ChemDiv1_002013?
The molecular formula of ChemDiv1_002013 is C21H18BrN3O3S.
What is the molecular weight of ChemDiv1_002013?
The molecular weight of ChemDiv1_002013 is 471.03 g/mol.
Where can I buy ChemDiv1_002013?
You can request a quote for ChemDiv1_002013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002013?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.