BAS 00865917
TL;DR: BAS 00865917 (CAS 330558-01-5) is a chemical compound with molecular formula C24H24ClN3O2S and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865917, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-(propylsulfanyl)-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-(propylthio)-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-(propylsulfanyl)-1,4-dihydro-3-pyridinecarboxamide
| Molecular Formula | C24H24ClN3O2S |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 5.82648 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.12778 |
| Heavy Atoms | 31 |
| Complexity | 1088.2272 |
Chemical Identifiers
| CAS Number | 330558-01-5 |
|---|---|
| SMILES | CCCSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3Cl)C#N |
Product Overview
BAS 00865917 (CAS 330558-01-5), with molecular formula C24H24ClN3O2S and molecular weight 453.13 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865917
Property Insights of BAS 00865917
The XLogP value of 5.82648 indicates that BAS 00865917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865917. Following Lipinski's Rule of Five, BAS 00865917 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865917?
The CAS number of BAS 00865917 is 330558-01-5.
What is the molecular formula of BAS 00865917?
The molecular formula of BAS 00865917 is C24H24ClN3O2S.
What is the molecular weight of BAS 00865917?
The molecular weight of BAS 00865917 is 453.13 g/mol.
Where can I buy BAS 00865917?
You can request a quote for BAS 00865917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865917?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.