ChemDiv1_021221
TL;DR: ChemDiv1_021221 (CAS 201274-17-1) is a chemical compound with molecular formula C27H23N5O2S and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: ChemDiv1_021221, BAS 02610415, 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide, F0837-0715, 5-cyano-2-methyl-6-((2-oxo-2-(phenylamino)ethyl)thio)-N-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide
| Molecular Formula | C27H23N5O2S |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 4.78818 |
| Topological Polar Surface Area | 106.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.15726 |
| Heavy Atoms | 35 |
| Complexity | 1315.9423 |
Chemical Identifiers
| CAS Number | 201274-17-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4 |
Product Overview
ChemDiv1_021221 (CAS 201274-17-1), with molecular formula C27H23N5O2S and molecular weight 481.16 g/mol. IUPAC: 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_021221
Property Insights of ChemDiv1_021221
The XLogP value of 4.78818 indicates that ChemDiv1_021221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021221. Following Lipinski's Rule of Five, ChemDiv1_021221 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_021221?
The CAS number of ChemDiv1_021221 is 201274-17-1.
What is the molecular formula of ChemDiv1_021221?
The molecular formula of ChemDiv1_021221 is C27H23N5O2S.
What is the molecular weight of ChemDiv1_021221?
The molecular weight of ChemDiv1_021221 is 481.16 g/mol.
Where can I buy ChemDiv1_021221?
You can request a quote for ChemDiv1_021221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021221?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.