AN-989/40659907
TL;DR: AN-989/40659907 (CAS 496928-04-2) is a chemical compound with molecular formula C26H25BrN2O6S and molecular weight 572.06 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]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-989/40659907, ethyl 2-(5-bromo-2-hydroxybenzylidene)-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H25BrN2O6S |
|---|---|
| Molecular Weight | 572.06 g/mol |
| LogP | 3.6737 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.06165 |
| Heavy Atoms | 36 |
| Complexity | 1538.6816 |
Chemical Identifiers
| CAS Number | 496928-04-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)/C(=C/C4=C(C=CC(=C4)Br)O)/S3)C)C(=O)OCC)OC |
Product Overview
AN-989/40659907 (CAS 496928-04-2), with molecular formula C26H25BrN2O6S and molecular weight 572.06 g/mol. IUPAC: ethyl (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-989/40659907
Property Insights of AN-989/40659907
The XLogP value of 3.6737 indicates that AN-989/40659907 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 AN-989/40659907. Following Lipinski's Rule of Five, AN-989/40659907 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 AN-989/40659907?
The CAS number of AN-989/40659907 is 496928-04-2.
What is the molecular formula of AN-989/40659907?
The molecular formula of AN-989/40659907 is C26H25BrN2O6S.
What is the molecular weight of AN-989/40659907?
The molecular weight of AN-989/40659907 is 572.06 g/mol.
Where can I buy AN-989/40659907?
You can request a quote for AN-989/40659907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40659907?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40659907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.