ChemDiv1_004390
TL;DR: ChemDiv1_004390 (CAS 5832-47-3) is a chemical compound with molecular formula C25H23BrN2O6S and molecular weight 558.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_004390, 5-nitro-2,4-di-styryl-pyridine, ethyl 2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (8Z)-8-[(5-BROMO-2-HYDROXY-3-METHOXY-PHENYL)METHYLIDENE]-2-(4-METHOXYPHENYL)-4-METHYL-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H23BrN2O6S |
|---|---|
| Molecular Weight | 558.05 g/mol |
| LogP | 3.2836 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.046 |
| Heavy Atoms | 35 |
| Complexity | 1504.3748 |
Chemical Identifiers
| CAS Number | 5832-47-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=C(C(=CC(=C4)Br)OC)O)S2)C |
Product Overview
ChemDiv1_004390 (CAS 5832-47-3), with molecular formula C25H23BrN2O6S and molecular weight 558.05 g/mol. IUPAC: ethyl 2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_004390
Property Insights of ChemDiv1_004390
The XLogP value of 3.2836 indicates that ChemDiv1_004390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004390. Following Lipinski's Rule of Five, ChemDiv1_004390 has 1 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_004390?
The CAS number of ChemDiv1_004390 is 5832-47-3.
What is the molecular formula of ChemDiv1_004390?
The molecular formula of ChemDiv1_004390 is C25H23BrN2O6S.
What is the molecular weight of ChemDiv1_004390?
The molecular weight of ChemDiv1_004390 is 558.05 g/mol.
Where can I buy ChemDiv1_004390?
You can request a quote for ChemDiv1_004390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004390?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.