ChemDiv1_020831
TL;DR: ChemDiv1_020831 (CAS 79421-56-0) is a chemical compound with molecular formula C24H19N3O3S and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: ChemDiv1_020831, (Z)-ethyl 5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl 5-amino-6-cyano-3-oxo-7-phenyl-2-(phenylmethylene)-4,7-dihydro-1,3-thiaz olidino[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C24H19N3O3S |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 1.90068 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.11472 |
| Heavy Atoms | 31 |
| Complexity | 1394.2316 |
Chemical Identifiers
| CAS Number | 79421-56-0 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3)C#N)N)C(=O)/C(=C/C4=CC=CC=C4)/S2 |
Product Overview
ChemDiv1_020831 (CAS 79421-56-0), with molecular formula C24H19N3O3S and molecular weight 429.11 g/mol. IUPAC: ethyl (2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of ChemDiv1_020831
Property Insights of ChemDiv1_020831
The XLogP value of 1.90068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_020831. The TPSA of 98.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020831. Following Lipinski's Rule of Five, ChemDiv1_020831 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_020831?
The CAS number of ChemDiv1_020831 is 79421-56-0.
What is the molecular formula of ChemDiv1_020831?
The molecular formula of ChemDiv1_020831 is C24H19N3O3S.
What is the molecular weight of ChemDiv1_020831?
The molecular weight of ChemDiv1_020831 is 429.11 g/mol.
Where can I buy ChemDiv1_020831?
You can request a quote for ChemDiv1_020831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020831?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.