ChemDiv1_028749
TL;DR: ChemDiv1_028749 (CAS 370846-71-2) is a chemical compound with molecular formula C26H26ClN3O3S and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028749, methyl 4-(2-chlorophenyl)-5-cyano-6-((2-(mesitylamino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate, F1155-0317, METHYL 4-(2-CHLOROPHENYL)-5-CYANO-2-METHYL-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H26ClN3O3S |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 5.50614 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.13834 |
| Heavy Atoms | 34 |
| Complexity | 1237.1725 |
Chemical Identifiers
| CAS Number | 370846-71-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3Cl)C#N)C |
Product Overview
ChemDiv1_028749 (CAS 370846-71-2), with molecular formula C26H26ClN3O3S and molecular weight 495.14 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028749
Property Insights of ChemDiv1_028749
The XLogP value of 5.50614 indicates that ChemDiv1_028749 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_028749. Following Lipinski's Rule of Five, ChemDiv1_028749 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028749?
The CAS number of ChemDiv1_028749 is 370846-71-2.
What is the molecular formula of ChemDiv1_028749?
The molecular formula of ChemDiv1_028749 is C26H26ClN3O3S.
What is the molecular weight of ChemDiv1_028749?
The molecular weight of ChemDiv1_028749 is 495.14 g/mol.
Where can I buy ChemDiv1_028749?
You can request a quote for ChemDiv1_028749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028749?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.