ChemDiv1_005956
TL;DR: ChemDiv1_005956 (CAS 337499-36-2) is a chemical compound with molecular formula C21H23ClN2O4S and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_005956, BAS 01369419, tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate, F0763-0025, A2369/0100143
| Molecular Formula | C21H23ClN2O4S |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 4.28388 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.10672 |
| Heavy Atoms | 29 |
| Complexity | 908.0942 |
Chemical Identifiers
| CAS Number | 337499-36-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C |
Product Overview
ChemDiv1_005956 (CAS 337499-36-2), with molecular formula C21H23ClN2O4S and molecular weight 434.11 g/mol. IUPAC: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_005956
Property Insights of ChemDiv1_005956
The XLogP value of 4.28388 indicates that ChemDiv1_005956 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005956. Following Lipinski's Rule of Five, ChemDiv1_005956 has 1 hydrogen bond donor(s) and 7 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_005956?
The CAS number of ChemDiv1_005956 is 337499-36-2.
What is the molecular formula of ChemDiv1_005956?
The molecular formula of ChemDiv1_005956 is C21H23ClN2O4S.
What is the molecular weight of ChemDiv1_005956?
The molecular weight of ChemDiv1_005956 is 434.11 g/mol.
Where can I buy ChemDiv1_005956?
You can request a quote for ChemDiv1_005956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005956?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.