AB00113716-01
TL;DR: AB00113716-01 (CAS 430469-82-2) is a chemical compound with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-ethoxy-4-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
Also Known As: AB00113716-01, 2-(2-ethoxy-4-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid, (Z)-2-(2-ethoxy-4-((1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)propanoic acid, 2-[2-ethoxy-4-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
| Molecular Formula | C24H24N2O6S |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 3.3309 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1355 |
| Heavy Atoms | 33 |
| Complexity | 1126.2744 |
Chemical Identifiers
| CAS Number | 430469-82-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC(C)C(=O)O)OCC)/C(=O)NC2=S |
Product Overview
AB00113716-01 (CAS 430469-82-2), with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol. IUPAC: 2-[2-ethoxy-4-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid.
Chemical Property Profile of AB00113716-01
Property Insights of AB00113716-01
The XLogP value of 3.3309 indicates that AB00113716-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113716-01. Following Lipinski's Rule of Five, AB00113716-01 has 2 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 AB00113716-01?
The CAS number of AB00113716-01 is 430469-82-2.
What is the molecular formula of AB00113716-01?
The molecular formula of AB00113716-01 is C24H24N2O6S.
What is the molecular weight of AB00113716-01?
The molecular weight of AB00113716-01 is 468.14 g/mol.
Where can I buy AB00113716-01?
You can request a quote for AB00113716-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113716-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113716-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.