ChemDiv1_004178
TL;DR: ChemDiv1_004178 (CAS 312936-82-6) is a chemical compound with molecular formula C26H23ClN2O6S and molecular weight 526.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(2-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_004178, ethyl (2Z)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(2-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(2-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-acetoxy-3-methoxyphenyl)-2-(2-chlorobenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-{2-[(2-chlorophenyl)methylene]-6-(ethoxycarbonyl)-7-methyl-3-oxo(4,5-dihydro -1,3-thiazolidino[3,2-a]pyrimidin-5-yl)}-2-methoxyphenyl acetate
| Molecular Formula | C26H23ClN2O6S |
|---|---|
| Molecular Weight | 526.10 g/mol |
| LogP | 3.3856 |
| Topological Polar Surface Area | 96.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.09656 |
| Heavy Atoms | 36 |
| Complexity | 1569.6702 |
Chemical Identifiers
| CAS Number | 312936-82-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)/C(=C/C4=CC=CC=C4Cl)/S2)C |
Product Overview
ChemDiv1_004178 (CAS 312936-82-6), with molecular formula C26H23ClN2O6S and molecular weight 526.10 g/mol. IUPAC: ethyl (2Z)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(2-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_004178
Property Insights of ChemDiv1_004178
The XLogP value of 3.3856 indicates that ChemDiv1_004178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004178. Following Lipinski's Rule of Five, ChemDiv1_004178 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004178?
The CAS number of ChemDiv1_004178 is 312936-82-6.
What is the molecular formula of ChemDiv1_004178?
The molecular formula of ChemDiv1_004178 is C26H23ClN2O6S.
What is the molecular weight of ChemDiv1_004178?
The molecular weight of ChemDiv1_004178 is 526.10 g/mol.
Where can I buy ChemDiv1_004178?
You can request a quote for ChemDiv1_004178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004178?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.