A2089/0087855
TL;DR: A2089/0087855 (CAS 309280-11-3) is a chemical compound with molecular formula C25H17BrN2O4S and molecular weight 520.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: A2089/0087855, (4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione, 4-benzoyl-1-(6-bromobenzo[d]thiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H17BrN2O4S |
|---|---|
| Molecular Weight | 520.01 g/mol |
| LogP | 5.6937 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.0092 |
| Heavy Atoms | 33 |
| Complexity | 1413.6383 |
Chemical Identifiers
| CAS Number | 309280-11-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)Br |
Product Overview
A2089/0087855 (CAS 309280-11-3), with molecular formula C25H17BrN2O4S and molecular weight 520.01 g/mol. IUPAC: (4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of A2089/0087855
Property Insights of A2089/0087855
The XLogP value of 5.6937 indicates that A2089/0087855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for A2089/0087855. Following Lipinski's Rule of Five, A2089/0087855 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2089/0087855?
The CAS number of A2089/0087855 is 309280-11-3.
What is the molecular formula of A2089/0087855?
The molecular formula of A2089/0087855 is C25H17BrN2O4S.
What is the molecular weight of A2089/0087855?
The molecular weight of A2089/0087855 is 520.01 g/mol.
Where can I buy A2089/0087855?
You can request a quote for A2089/0087855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2089/0087855?
Yes, KEHONG BIO provides custom synthesis services for A2089/0087855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.