AN-989/40659797
TL;DR: AN-989/40659797 (CAS 432022-63-4) is a chemical compound with molecular formula C26H25BrN2O5S and molecular weight 556.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-989/40659797, ethyl 2-(2-bromo-5-ethoxy-4-methoxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H25BrN2O5S |
|---|---|
| Molecular Weight | 556.07 g/mol |
| LogP | 3.9681 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 556.0668 |
| Heavy Atoms | 35 |
| Complexity | 1473.8315 |
Chemical Identifiers
| CAS Number | 432022-63-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4)Br)OC |
Product Overview
AN-989/40659797 (CAS 432022-63-4), with molecular formula C26H25BrN2O5S and molecular weight 556.07 g/mol. IUPAC: ethyl (2E)-2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-989/40659797
Property Insights of AN-989/40659797
The XLogP value of 3.9681 indicates that AN-989/40659797 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40659797. Following Lipinski's Rule of Five, AN-989/40659797 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 AN-989/40659797?
The CAS number of AN-989/40659797 is 432022-63-4.
What is the molecular formula of AN-989/40659797?
The molecular formula of AN-989/40659797 is C26H25BrN2O5S.
What is the molecular weight of AN-989/40659797?
The molecular weight of AN-989/40659797 is 556.07 g/mol.
Where can I buy AN-989/40659797?
You can request a quote for AN-989/40659797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40659797?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40659797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.