Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate
TL;DR: Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate (CAS 81282-12-4) is a chemical compound with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-1,2-oxazole-5-carboxylate
Also Known As: ChemDiv2_000591, ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate, ethyl 3-(4-chlorophenyl)-1,2-oxazole-5-carboxylate, BAS 03213321, J2.896.490K
| Molecular Formula | C12H10ClNO3 |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.03493 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 81282-12-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NO1)C2=CC=C(C=C2)Cl |
| InChIKey | HMJZECLYUKCVRS-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate (CAS 81282-12-4), with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate
Property Insights of Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate
The XLogP value of 3.2 indicates that Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate?
The CAS number of Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate is 81282-12-4.
What is the molecular formula of Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate?
The molecular formula of Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate is C12H10ClNO3.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate?
The molecular weight of Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate is 251.03 g/mol.
Where can I buy Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate?
You can request a quote for Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.