ChemDiv1_021053
TL;DR: ChemDiv1_021053 (CAS 313381-66-7) is a chemical compound with molecular formula C26H23N3O5S and molecular weight 489.14 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-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: ChemDiv1_021053, (Z)-ethyl 5-amino-6-cyano-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-6-cyano-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-6-cyano-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C26H23N3O5S |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 1.91788 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.13583 |
| Heavy Atoms | 35 |
| Complexity | 1558.4681 |
Chemical Identifiers
| CAS Number | 313381-66-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC(=CC=C3)OC)C#N)N)C(=O)/C(=C/C4=CC(=CC=C4)OC)/S2 |
Product Overview
ChemDiv1_021053 (CAS 313381-66-7), with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol. IUPAC: ethyl (2Z)-5-amino-6-cyano-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of ChemDiv1_021053
Property Insights of ChemDiv1_021053
The XLogP value of 1.91788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021053. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021053. Following Lipinski's Rule of Five, ChemDiv1_021053 has 1 hydrogen bond donor(s) and 8 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_021053?
The CAS number of ChemDiv1_021053 is 313381-66-7.
What is the molecular formula of ChemDiv1_021053?
The molecular formula of ChemDiv1_021053 is C26H23N3O5S.
What is the molecular weight of ChemDiv1_021053?
The molecular weight of ChemDiv1_021053 is 489.14 g/mol.
Where can I buy ChemDiv1_021053?
You can request a quote for ChemDiv1_021053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021053?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.