AB00117079-01
TL;DR: AB00117079-01 (CAS 431935-12-5) is a chemical compound with molecular formula C25H26N2O7S and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: AB00117079-01, (E)-ethyl 2-(4-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)acetate, ethyl {4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetate, ethyl 2-[4-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate, ethyl 2-{4-[(3-{[N-(3,4-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo(1,3-thiazol idin-5-ylidene))methyl]-2-methoxyphenoxy}acetate
| Molecular Formula | C25H26N2O7S |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 3.92894 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.14606 |
| Heavy Atoms | 35 |
| Complexity | 1192.333 |
Chemical Identifiers
| CAS Number | 431935-12-5 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)NC3=CC(=C(C=C3)C)C)OC |
Product Overview
AB00117079-01 (CAS 431935-12-5), with molecular formula C25H26N2O7S and molecular weight 498.15 g/mol. IUPAC: ethyl 2-[4-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of AB00117079-01
Property Insights of AB00117079-01
The XLogP value of 3.92894 indicates that AB00117079-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117079-01. Following Lipinski's Rule of Five, AB00117079-01 has 1 hydrogen bond donor(s) and 8 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 AB00117079-01?
The CAS number of AB00117079-01 is 431935-12-5.
What is the molecular formula of AB00117079-01?
The molecular formula of AB00117079-01 is C25H26N2O7S.
What is the molecular weight of AB00117079-01?
The molecular weight of AB00117079-01 is 498.15 g/mol.
Where can I buy AB00117079-01?
You can request a quote for AB00117079-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117079-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117079-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.