ChemDiv1_003960
TL;DR: ChemDiv1_003960 (CAS 312937-33-0) is a chemical compound with molecular formula C27H23ClN2O7S and molecular weight 554.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(2-chlorophenyl)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_003960, ethyl (2E)-2-[2,4-bis(acetyloxy)benzylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[2,4-bis(acetyloxy)benzylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-((5-(2-Chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)-1,3-phenylene diacetate, ethyl (2E)-5-(2-chlorophenyl)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H23ClN2O7S |
|---|---|
| Molecular Weight | 554.09 g/mol |
| LogP | 3.3023 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.09143 |
| Heavy Atoms | 38 |
| Complexity | 1668.9451 |
Chemical Identifiers
| CAS Number | 312937-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C\C4=C(C=C(C=C4)OC(=O)C)OC(=O)C)/S2)C |
Product Overview
ChemDiv1_003960 (CAS 312937-33-0), with molecular formula C27H23ClN2O7S and molecular weight 554.09 g/mol. IUPAC: ethyl (2E)-5-(2-chlorophenyl)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_003960
Property Insights of ChemDiv1_003960
The XLogP value of 3.3023 indicates that ChemDiv1_003960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003960. Following Lipinski's Rule of Five, ChemDiv1_003960 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003960?
The CAS number of ChemDiv1_003960 is 312937-33-0.
What is the molecular formula of ChemDiv1_003960?
The molecular formula of ChemDiv1_003960 is C27H23ClN2O7S.
What is the molecular weight of ChemDiv1_003960?
The molecular weight of ChemDiv1_003960 is 554.09 g/mol.
Where can I buy ChemDiv1_003960?
You can request a quote for ChemDiv1_003960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003960?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.