4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester (CAS 117644-85-6) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
Also Known As: methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester, Methyl 2,3-diphenyl-2,3-dihydro-4-isoxazolecarboxylate, Methyl 2,3-diphenyl-2,3-dihydro-4-isoxazolecarboxylate #, Methyl 2,3-diphenyl-2,3-dihydro-1,2-oxazole-4-carboxylate
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 117644-85-6 |
|---|---|
| SMILES | COC(=O)C1=CON(C1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | YSJKUEFWTPGBQR-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester (CAS 117644-85-6), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester
The XLogP value of 3.6 indicates that 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester 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 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester is 117644-85-6.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester is C17H15NO3.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester is 281.11 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.