AB00110714-01
TL;DR: AB00110714-01 (CAS 429629-18-5) is a chemical compound with molecular formula C20H16ClFN2O4 and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Also Known As: AB00110714-01, ethyl 3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate, ethyl 3-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)benzoate, ethyl 3-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)benzoate, Ethyl N-(5-Methyl-3-(2-Chloro-6-Fluorophenyl)isoxaz-4-oyl)-3-Aminobenzoate
| Molecular Formula | C20H16ClFN2O4 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 4.87152 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.07828 |
| Heavy Atoms | 28 |
| Complexity | 1028.1849 |
Chemical Identifiers
| CAS Number | 429629-18-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C |
Product Overview
AB00110714-01 (CAS 429629-18-5), with molecular formula C20H16ClFN2O4 and molecular weight 402.08 g/mol. IUPAC: ethyl 3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of AB00110714-01
Property Insights of AB00110714-01
The XLogP value of 4.87152 indicates that AB00110714-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00110714-01. Following Lipinski's Rule of Five, AB00110714-01 has 1 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 AB00110714-01?
The CAS number of AB00110714-01 is 429629-18-5.
What is the molecular formula of AB00110714-01?
The molecular formula of AB00110714-01 is C20H16ClFN2O4.
What is the molecular weight of AB00110714-01?
The molecular weight of AB00110714-01 is 402.08 g/mol.
Where can I buy AB00110714-01?
You can request a quote for AB00110714-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110714-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110714-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.