AB00116725-01
TL;DR: AB00116725-01 (CAS 431925-85-8) is a chemical compound with molecular formula C20H17ClN2O6 and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid
Also Known As: AB00116725-01, AB00116725-04, (E)-3-((2-chloro-4-((2,5-dioxoimidazolidin-4-ylidene)methyl)-6-ethoxyphenoxy)methyl)benzoic acid, 3-({2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid, 3-[(2-CHLORO-4-{[(4E)-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}-6-ETHOXYPHENOXY)METHYL]BENZOIC ACID
| Molecular Formula | C20H17ClN2O6 |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 3.1962 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0775 |
| Heavy Atoms | 29 |
| Complexity | 1018.0262 |
Chemical Identifiers
| CAS Number | 431925-85-8 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Cl)OCC3=CC(=CC=C3)C(=O)O |
Product Overview
AB00116725-01 (CAS 431925-85-8), with molecular formula C20H17ClN2O6 and molecular weight 416.08 g/mol. IUPAC: 3-[[2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AB00116725-01
Property Insights of AB00116725-01
The XLogP value of 3.1962 indicates that AB00116725-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116725-01. Following Lipinski's Rule of Five, AB00116725-01 has 3 hydrogen bond donor(s) and 5 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 AB00116725-01?
The CAS number of AB00116725-01 is 431925-85-8.
What is the molecular formula of AB00116725-01?
The molecular formula of AB00116725-01 is C20H17ClN2O6.
What is the molecular weight of AB00116725-01?
The molecular weight of AB00116725-01 is 416.08 g/mol.
Where can I buy AB00116725-01?
You can request a quote for AB00116725-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116725-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116725-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.