ChemDiv1_000719
TL;DR: ChemDiv1_000719 (CAS 5522-72-5) is a chemical compound with molecular formula C25H21BrN2O5S and molecular weight 540.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-acetyloxy-5-bromophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_000719, BAS 00664349, ETHYL (8Z)-8-[(2-ACETYLOXY-5-BROMO-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, ethyl 2-[(2-acetyloxy-5-bromophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H21BrN2O5S |
|---|---|
| Molecular Weight | 540.04 g/mol |
| LogP | 3.4861 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.03546 |
| Heavy Atoms | 34 |
| Complexity | 1487.6792 |
Chemical Identifiers
| CAS Number | 5522-72-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(C=CC(=C4)Br)OC(=O)C)S2)C |
Product Overview
ChemDiv1_000719 (CAS 5522-72-5), with molecular formula C25H21BrN2O5S and molecular weight 540.04 g/mol. IUPAC: ethyl 2-[(2-acetyloxy-5-bromophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_000719
Property Insights of ChemDiv1_000719
The XLogP value of 3.4861 indicates that ChemDiv1_000719 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_000719. Following Lipinski's Rule of Five, ChemDiv1_000719 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000719?
The CAS number of ChemDiv1_000719 is 5522-72-5.
What is the molecular formula of ChemDiv1_000719?
The molecular formula of ChemDiv1_000719 is C25H21BrN2O5S.
What is the molecular weight of ChemDiv1_000719?
The molecular weight of ChemDiv1_000719 is 540.04 g/mol.
Where can I buy ChemDiv1_000719?
You can request a quote for ChemDiv1_000719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000719?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.