ChemDiv1_020950
TL;DR: ChemDiv1_020950 (CAS 75052-65-2) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-O-ethyl 6-O-methyl (2Z)-5-amino-2-benzylidene-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: ChemDiv1_020950, 8-ethyl 6-methyl (2Z)-5-amino-2-benzylidene-3-oxo-7-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate, (Z)-8-ethyl 6-methyl 5-amino-2-benzylidene-3-oxo-7-phenyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 8-ETHYL 6-METHYL (2Z)-5-AMINO-3-OXO-7-PHENYL-2-(PHENYLMETHYLIDENE)-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6,8-DICARBOXYLATE, 8-O-ethyl 6-O-methyl (2Z)-5-amino-2-benzylidene-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 1.5501 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1418.9205 |
Chemical Identifiers
| CAS Number | 75052-65-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3)C(=O)OC)N)C(=O)/C(=C/C4=CC=CC=C4)/S2 |
Product Overview
ChemDiv1_020950 (CAS 75052-65-2), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: 8-O-ethyl 6-O-methyl (2Z)-5-amino-2-benzylidene-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
Chemical Property Profile of ChemDiv1_020950
Property Insights of ChemDiv1_020950
The XLogP value of 1.5501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_020950. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020950. Following Lipinski's Rule of Five, ChemDiv1_020950 has 1 hydrogen bond donor(s) and 7 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_020950?
The CAS number of ChemDiv1_020950 is 75052-65-2.
What is the molecular formula of ChemDiv1_020950?
The molecular formula of ChemDiv1_020950 is C25H22N2O5S.
What is the molecular weight of ChemDiv1_020950?
The molecular weight of ChemDiv1_020950 is 462.12 g/mol.
Where can I buy ChemDiv1_020950?
You can request a quote for ChemDiv1_020950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020950?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.