ChemDiv1_003916
TL;DR: ChemDiv1_003916 (CAS 312937-32-9) is a chemical compound with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(4-acetyloxyphenyl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_003916, ethyl (2E)-2-[4-(acetyloxy)benzylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-[(4-acetyloxyphenyl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 2-(4-acetoxybenzylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-ethyl 2-(4-acetoxybenzylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H21ClN2O5S |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 3.377 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.08597 |
| Heavy Atoms | 34 |
| Complexity | 1484.6792 |
Chemical Identifiers
| CAS Number | 312937-32-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C\C4=CC=C(C=C4)OC(=O)C)/S2)C |
Product Overview
ChemDiv1_003916 (CAS 312937-32-9), with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol. IUPAC: ethyl (2E)-2-[(4-acetyloxyphenyl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_003916
Property Insights of ChemDiv1_003916
The XLogP value of 3.377 indicates that ChemDiv1_003916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003916. Following Lipinski's Rule of Five, ChemDiv1_003916 has 0 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_003916?
The CAS number of ChemDiv1_003916 is 312937-32-9.
What is the molecular formula of ChemDiv1_003916?
The molecular formula of ChemDiv1_003916 is C25H21ClN2O5S.
What is the molecular weight of ChemDiv1_003916?
The molecular weight of ChemDiv1_003916 is 496.09 g/mol.
Where can I buy ChemDiv1_003916?
You can request a quote for ChemDiv1_003916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003916?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.