ChemDiv1_021265
TL;DR: ChemDiv1_021265 (CAS 330179-87-8) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: ChemDiv1_021265, CBKinase1_000482, CBKinase1_012882, BAS 01235546, N-benzyl-2-p-toluenesulfonylacetamide
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 3.24838 |
| Topological Polar Surface Area | 117.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1103.3047 |
Chemical Identifiers
| CAS Number | 330179-87-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC |
Product Overview
ChemDiv1_021265 (CAS 330179-87-8), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_021265
Property Insights of ChemDiv1_021265
The XLogP value of 3.24838 indicates that ChemDiv1_021265 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021265. Following Lipinski's Rule of Five, ChemDiv1_021265 has 3 hydrogen bond donor(s) and 6 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_021265?
The CAS number of ChemDiv1_021265 is 330179-87-8.
What is the molecular formula of ChemDiv1_021265?
The molecular formula of ChemDiv1_021265 is C23H22N4O3S.
What is the molecular weight of ChemDiv1_021265?
The molecular weight of ChemDiv1_021265 is 434.14 g/mol.
Where can I buy ChemDiv1_021265?
You can request a quote for ChemDiv1_021265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021265?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.