ChemDiv1_026068
TL;DR: ChemDiv1_026068 (CAS 256340-92-8) is a chemical compound with molecular formula C21H24BrN3O2S and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide
Also Known As: ChemDiv1_026068, 2-((5-acetyl-3-cyano-4-isobutyl-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-bromophenyl)acetamide, 2-[[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide, 2-{[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
| Molecular Formula | C21H24BrN3O2S |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 4.98448 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.07727 |
| Heavy Atoms | 28 |
| Complexity | 866.632 |
Chemical Identifiers
| CAS Number | 256340-92-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)CC(C)C)C(=O)C |
Product Overview
ChemDiv1_026068 (CAS 256340-92-8), with molecular formula C21H24BrN3O2S and molecular weight 461.08 g/mol. IUPAC: 2-[[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide.
Chemical Property Profile of ChemDiv1_026068
Property Insights of ChemDiv1_026068
The XLogP value of 4.98448 indicates that ChemDiv1_026068 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_026068. Following Lipinski's Rule of Five, ChemDiv1_026068 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_026068?
The CAS number of ChemDiv1_026068 is 256340-92-8.
What is the molecular formula of ChemDiv1_026068?
The molecular formula of ChemDiv1_026068 is C21H24BrN3O2S.
What is the molecular weight of ChemDiv1_026068?
The molecular weight of ChemDiv1_026068 is 461.08 g/mol.
Where can I buy ChemDiv1_026068?
You can request a quote for ChemDiv1_026068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026068?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.