ChemDiv1_024459
TL;DR: ChemDiv1_024459 (CAS 369398-91-4) is a chemical compound with molecular formula C29H26ClN5O2S and molecular weight 543.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-5-cyano-6-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: ChemDiv1_024459, F1155-0199, N-(4-CHLOROPHENYL)-5-CYANO-6-({[(2,4-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-METHYL-1,4-DIHYDRO-[4,4'-BIPYRIDINE]-3-CARBOXAMIDE, N-(4-chlorophenyl)-5-cyano-6-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide, N-(4-chlorophenyl)-5-cyano-6-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide
| Molecular Formula | C29H26ClN5O2S |
|---|---|
| Molecular Weight | 543.15 g/mol |
| LogP | 6.05842 |
| Topological Polar Surface Area | 106.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.1496 |
| Heavy Atoms | 38 |
| Complexity | 1477.0532 |
Chemical Identifiers
| CAS Number | 369398-91-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=C(C=C3)Cl)C4=CC=NC=C4)C#N)C |
Product Overview
ChemDiv1_024459 (CAS 369398-91-4), with molecular formula C29H26ClN5O2S and molecular weight 543.15 g/mol. IUPAC: N-(4-chlorophenyl)-5-cyano-6-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_024459
Property Insights of ChemDiv1_024459
The XLogP value of 6.05842 indicates that ChemDiv1_024459 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_024459. Following Lipinski's Rule of Five, ChemDiv1_024459 has 3 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_024459?
The CAS number of ChemDiv1_024459 is 369398-91-4.
What is the molecular formula of ChemDiv1_024459?
The molecular formula of ChemDiv1_024459 is C29H26ClN5O2S.
What is the molecular weight of ChemDiv1_024459?
The molecular weight of ChemDiv1_024459 is 543.15 g/mol.
Where can I buy ChemDiv1_024459?
You can request a quote for ChemDiv1_024459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024459?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.