AH-487/40935629
TL;DR: AH-487/40935629 (CAS 432499-56-4) is a chemical compound with molecular formula C22H17NO6S and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
Also Known As: AH-487/40935629, AB00119688-01, 3-[(4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid, 3-[[4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid, (E)-3-((4-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)methyl)benzoic acid
| Molecular Formula | C22H17NO6S |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 3.6419 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.07767 |
| Heavy Atoms | 30 |
| Complexity | 1085.2756 |
Chemical Identifiers
| CAS Number | 432499-56-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)OCC3=CC(=CC=C3)C(=O)O |
Product Overview
AH-487/40935629 (CAS 432499-56-4), with molecular formula C22H17NO6S and molecular weight 423.08 g/mol. IUPAC: 3-[[4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AH-487/40935629
Property Insights of AH-487/40935629
The XLogP value of 3.6419 indicates that AH-487/40935629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/40935629. Following Lipinski's Rule of Five, AH-487/40935629 has 1 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-487/40935629?
The CAS number of AH-487/40935629 is 432499-56-4.
What is the molecular formula of AH-487/40935629?
The molecular formula of AH-487/40935629 is C22H17NO6S.
What is the molecular weight of AH-487/40935629?
The molecular weight of AH-487/40935629 is 423.08 g/mol.
Where can I buy AH-487/40935629?
You can request a quote for AH-487/40935629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40935629?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40935629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.