ChemDiv1_020963
TL;DR: ChemDiv1_020963 (CAS 313381-53-2) is a chemical compound with molecular formula C28H27N3O3S and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-amino-6-cyano-7-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: ChemDiv1_020963, (Z)-ethyl 5-amino-6-cyano-2-(4-ethylbenzylidene)-7-(4-ethylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-6-cyano-2-(4-ethylbenzylidene)-7-(4-ethylphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-6-cyano-7-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C28H27N3O3S |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 3.02548 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1773 |
| Heavy Atoms | 35 |
| Complexity | 1518.4283 |
Chemical Identifiers
| CAS Number | 313381-53-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C(=O)OCC)C4=CC=C(C=C4)CC)C#N)N |
Product Overview
ChemDiv1_020963 (CAS 313381-53-2), with molecular formula C28H27N3O3S and molecular weight 485.18 g/mol. IUPAC: ethyl (2Z)-5-amino-6-cyano-7-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of ChemDiv1_020963
Property Insights of ChemDiv1_020963
The XLogP value of 3.02548 indicates that ChemDiv1_020963 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_020963. Following Lipinski's Rule of Five, ChemDiv1_020963 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_020963?
The CAS number of ChemDiv1_020963 is 313381-53-2.
What is the molecular formula of ChemDiv1_020963?
The molecular formula of ChemDiv1_020963 is C28H27N3O3S.
What is the molecular weight of ChemDiv1_020963?
The molecular weight of ChemDiv1_020963 is 485.18 g/mol.
Where can I buy ChemDiv1_020963?
You can request a quote for ChemDiv1_020963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020963?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.