AB00114427-01
TL;DR: AB00114427-01 (CAS 431067-67-3) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
Also Known As: AB00114427-01, ethyl {2-[(Z)-(3-{2-[(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate, (Z)-ethyl 2-(2-((2,4-dioxo-3-(2-oxo-2-(m-tolylamino)ethyl)thiazolidin-5-ylidene)methyl)phenoxy)acetate, ethyl 2-[2-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.61192 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1081.6613 |
Chemical Identifiers
| CAS Number | 431067-67-3 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC(=C3)C |
Product Overview
AB00114427-01 (CAS 431067-67-3), with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol. IUPAC: ethyl 2-[2-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of AB00114427-01
Property Insights of AB00114427-01
The XLogP value of 3.61192 indicates that AB00114427-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114427-01. Following Lipinski's Rule of Five, AB00114427-01 has 1 hydrogen bond donor(s) and 7 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 AB00114427-01?
The CAS number of AB00114427-01 is 431067-67-3.
What is the molecular formula of AB00114427-01?
The molecular formula of AB00114427-01 is C23H22N2O6S.
What is the molecular weight of AB00114427-01?
The molecular weight of AB00114427-01 is 454.12 g/mol.
Where can I buy AB00114427-01?
You can request a quote for AB00114427-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114427-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114427-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.