AB00119416-01
TL;DR: AB00119416-01 (CAS 431998-55-9) is a chemical compound with molecular formula C13H8BrNO3S and molecular weight 336.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
Also Known As: AB00119416-01, AH-487/40935599, (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione, 5-(3-bromo-4-hydroxybenzylidene)-3-(2-propynyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C13H8BrNO3S |
|---|---|
| Molecular Weight | 336.94 g/mol |
| LogP | 2.8242 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.94083 |
| Heavy Atoms | 19 |
| Complexity | 633.26575 |
Chemical Identifiers
| CAS Number | 431998-55-9 |
|---|---|
| SMILES | C#CCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)Br)/SC1=O |
Product Overview
AB00119416-01 (CAS 431998-55-9), with molecular formula C13H8BrNO3S and molecular weight 336.94 g/mol. IUPAC: (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AB00119416-01
Property Insights of AB00119416-01
The XLogP value of 2.8242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00119416-01. With a topological polar surface area (TPSA) of 57.61 Ų, AB00119416-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00119416-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00119416-01?
The CAS number of AB00119416-01 is 431998-55-9.
What is the molecular formula of AB00119416-01?
The molecular formula of AB00119416-01 is C13H8BrNO3S.
What is the molecular weight of AB00119416-01?
The molecular weight of AB00119416-01 is 336.94 g/mol.
Where can I buy AB00119416-01?
You can request a quote for AB00119416-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00119416-01?
Yes, KEHONG BIO provides custom synthesis services for AB00119416-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.