AH-487/40935811
TL;DR: AH-487/40935811 (CAS 432525-54-7) is a chemical compound with molecular formula C17H14BrNO5S and molecular weight 422.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AH-487/40935811, ethyl {(5E)-5-[3-bromo-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, ethyl 2-[(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, ethyl {5-[3-bromo-4-(2-propynyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-ethyl 2-(5-(3-bromo-4-(prop-2-yn-1-yloxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate
| Molecular Formula | C17H14BrNO5S |
|---|---|
| Molecular Weight | 422.98 g/mol |
| LogP | 3.0605 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.9776 |
| Heavy Atoms | 25 |
| Complexity | 783.73315 |
Chemical Identifiers
| CAS Number | 432525-54-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC#C)Br)/SC1=O |
Product Overview
AH-487/40935811 (CAS 432525-54-7), with molecular formula C17H14BrNO5S and molecular weight 422.98 g/mol. IUPAC: ethyl 2-[(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AH-487/40935811
Property Insights of AH-487/40935811
The XLogP value of 3.0605 indicates that AH-487/40935811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/40935811. Following Lipinski's Rule of Five, AH-487/40935811 has 0 hydrogen bond donor(s) and 6 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-487/40935811?
The CAS number of AH-487/40935811 is 432525-54-7.
What is the molecular formula of AH-487/40935811?
The molecular formula of AH-487/40935811 is C17H14BrNO5S.
What is the molecular weight of AH-487/40935811?
The molecular weight of AH-487/40935811 is 422.98 g/mol.
Where can I buy AH-487/40935811?
You can request a quote for AH-487/40935811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40935811?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40935811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.