AH-487/40935347
TL;DR: AH-487/40935347 (CAS 431997-76-1) is a chemical compound with molecular formula C16H14BrNO3S and molecular weight 378.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
Also Known As: AH-487/40935347, (5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione, (5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione, 5-(3-bromo-4-isopropoxybenzylidene)-3-(2-propynyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C16H14BrNO3S |
|---|---|
| Molecular Weight | 378.99 g/mol |
| LogP | 3.9058 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.9878 |
| Heavy Atoms | 22 |
| Complexity | 691.1216 |
Chemical Identifiers
| CAS Number | 431997-76-1 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)Br |
Product Overview
AH-487/40935347 (CAS 431997-76-1), with molecular formula C16H14BrNO3S and molecular weight 378.99 g/mol. IUPAC: (5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AH-487/40935347
Property Insights of AH-487/40935347
The XLogP value of 3.9058 indicates that AH-487/40935347 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, AH-487/40935347 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AH-487/40935347 has 0 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 AH-487/40935347?
The CAS number of AH-487/40935347 is 431997-76-1.
What is the molecular formula of AH-487/40935347?
The molecular formula of AH-487/40935347 is C16H14BrNO3S.
What is the molecular weight of AH-487/40935347?
The molecular weight of AH-487/40935347 is 378.99 g/mol.
Where can I buy AH-487/40935347?
You can request a quote for AH-487/40935347 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40935347?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40935347 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.