AH-487/40935873
TL;DR: AH-487/40935873 (CAS 432525-52-5) is a chemical compound with molecular formula C21H14ClNO5S and molecular weight 427.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: AH-487/40935873, 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid, (E)-3-((2-chloro-4-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid, 3-[(2-chloro-4-{[2,4-dioxo-3-(2-propynyl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid, 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C21H14ClNO5S |
|---|---|
| Molecular Weight | 427.03 g/mol |
| LogP | 4.2867 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.0281 |
| Heavy Atoms | 29 |
| Complexity | 1072.9814 |
Chemical Identifiers
| CAS Number | 432525-52-5 |
|---|---|
| SMILES | C#CCN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)O)Cl)/SC1=O |
Product Overview
AH-487/40935873 (CAS 432525-52-5), with molecular formula C21H14ClNO5S and molecular weight 427.03 g/mol. IUPAC: 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of AH-487/40935873
Property Insights of AH-487/40935873
The XLogP value of 4.2867 indicates that AH-487/40935873 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/40935873. Following Lipinski's Rule of Five, AH-487/40935873 has 1 hydrogen bond donor(s) and 5 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-487/40935873?
The CAS number of AH-487/40935873 is 432525-52-5.
What is the molecular formula of AH-487/40935873?
The molecular formula of AH-487/40935873 is C21H14ClNO5S.
What is the molecular weight of AH-487/40935873?
The molecular weight of AH-487/40935873 is 427.03 g/mol.
Where can I buy AH-487/40935873?
You can request a quote for AH-487/40935873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40935873?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40935873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.