ChemDiv1_020770
TL;DR: ChemDiv1_020770 (CAS 313381-67-8) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-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_020770, (E)-methyl 5-amino-6-cyano-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, methyl (2E)-5-amino-6-cyano-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, methyl 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
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 1.52778 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1541.4028 |
Chemical Identifiers
| CAS Number | 313381-67-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C/2\C(=O)N3C(=C(C(C(=C3S2)C(=O)OC)C4=CC(=CC=C4)OC)C#N)N |
Product Overview
ChemDiv1_020770 (CAS 313381-67-8), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: methyl (2E)-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_020770
Property Insights of ChemDiv1_020770
The XLogP value of 1.52778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_020770. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020770. Following Lipinski's Rule of Five, ChemDiv1_020770 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_020770?
The CAS number of ChemDiv1_020770 is 313381-67-8.
What is the molecular formula of ChemDiv1_020770?
The molecular formula of ChemDiv1_020770 is C25H21N3O5S.
What is the molecular weight of ChemDiv1_020770?
The molecular weight of ChemDiv1_020770 is 475.12 g/mol.
Where can I buy ChemDiv1_020770?
You can request a quote for ChemDiv1_020770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020770?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.