AB00117724-01
TL;DR: AB00117724-01 (CAS 432012-20-9) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-phenylacetamide
Also Known As: AB00117724-01, 2-(4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-N-phenylacetamide, 2-[4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-phenylacetamide
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.3822 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1043.2385 |
Chemical Identifiers
| CAS Number | 432012-20-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)OCC(=O)NC3=CC=CC=C3 |
Product Overview
AB00117724-01 (CAS 432012-20-9), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: 2-[4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-phenylacetamide.
Chemical Property Profile of AB00117724-01
Property Insights of AB00117724-01
The XLogP value of 3.3822 indicates that AB00117724-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117724-01. Following Lipinski's Rule of Five, AB00117724-01 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 AB00117724-01?
The CAS number of AB00117724-01 is 432012-20-9.
What is the molecular formula of AB00117724-01?
The molecular formula of AB00117724-01 is C22H18N2O5S.
What is the molecular weight of AB00117724-01?
The molecular weight of AB00117724-01 is 422.09 g/mol.
Where can I buy AB00117724-01?
You can request a quote for AB00117724-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117724-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117724-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.