ChemDiv1_001231
TL;DR: ChemDiv1_001231 (CAS 327055-33-4) is a chemical compound with molecular formula C23H19BrN2O4S and molecular weight 498.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_001231, AH-487/11604253, (Z)-ethyl 2-(5-bromo-2-hydroxybenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(5-bromo-2-hydroxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2Z)-2-[(5-BROMO-2-HYDROXYPHENYL)METHYLIDENE]-7-METHYL-3-OXO-5-PHENYL-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C23H19BrN2O4S |
|---|---|
| Molecular Weight | 498.02 g/mol |
| LogP | 3.2664 |
| Topological Polar Surface Area | 80.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.0249 |
| Heavy Atoms | 31 |
| Complexity | 1372.7933 |
Chemical Identifiers
| CAS Number | 327055-33-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C/C4=C(C=CC(=C4)Br)O)/S2)C |
Product Overview
ChemDiv1_001231 (CAS 327055-33-4), with molecular formula C23H19BrN2O4S and molecular weight 498.02 g/mol. IUPAC: ethyl (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_001231
Property Insights of ChemDiv1_001231
The XLogP value of 3.2664 indicates that ChemDiv1_001231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001231. Following Lipinski's Rule of Five, ChemDiv1_001231 has 1 hydrogen bond donor(s) and 6 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_001231?
The CAS number of ChemDiv1_001231 is 327055-33-4.
What is the molecular formula of ChemDiv1_001231?
The molecular formula of ChemDiv1_001231 is C23H19BrN2O4S.
What is the molecular weight of ChemDiv1_001231?
The molecular weight of ChemDiv1_001231 is 498.02 g/mol.
Where can I buy ChemDiv1_001231?
You can request a quote for ChemDiv1_001231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001231?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.