ChemDiv1_021095
TL;DR: ChemDiv1_021095 (CAS 330158-77-5) is a chemical compound with molecular formula C24H17Cl2N3O3S and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: ChemDiv1_021095, (Z)-ethyl 5-amino-2-(2-chlorobenzylidene)-7-(2-chlorophenyl)-6-cyano-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-2-(2-chlorobenzylidene)-7-(2-chlorophenyl)-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl 5-amino-2-(2-chlorobenzylidene)-7-(2-chlorophenyl)-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C24H17Cl2N3O3S |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 3.20748 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.03677 |
| Heavy Atoms | 33 |
| Complexity | 1529.2017 |
Chemical Identifiers
| CAS Number | 330158-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3Cl)C#N)N)C(=O)/C(=C/C4=CC=CC=C4Cl)/S2 |
Product Overview
ChemDiv1_021095 (CAS 330158-77-5), with molecular formula C24H17Cl2N3O3S and molecular weight 497.04 g/mol. IUPAC: ethyl (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of ChemDiv1_021095
Property Insights of ChemDiv1_021095
The XLogP value of 3.20748 indicates that ChemDiv1_021095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021095. Following Lipinski's Rule of Five, ChemDiv1_021095 has 1 hydrogen bond donor(s) and 6 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_021095?
The CAS number of ChemDiv1_021095 is 330158-77-5.
What is the molecular formula of ChemDiv1_021095?
The molecular formula of ChemDiv1_021095 is C24H17Cl2N3O3S.
What is the molecular weight of ChemDiv1_021095?
The molecular weight of ChemDiv1_021095 is 497.04 g/mol.
Where can I buy ChemDiv1_021095?
You can request a quote for ChemDiv1_021095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021095?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.