![3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid structure](/static/products/1005/1005040-08-3.webp)
3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid
TL;DR: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid (CAS 1005040-08-3) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid
Also Known As: 3R-0196, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid, 4H-Cyclopent[d]isoxazole-5-carboxylic acid, 3a,5,6,6a-tetrahydro-3-phenyl-, 2-phenyl-4-oxa-3-azabicyclo[3.3.0]oct-2-ene-7-carboxylic Acid
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.9003 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 468.81274 |
Chemical Identifiers
| CAS Number | 1005040-08-3 |
|---|---|
| SMILES | C1C(CC2C1C(=NO2)C3=CC=CC=C3)C(=O)O |
Product Overview
3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid (CAS 1005040-08-3), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid.
Chemical Property Profile of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid
Property Insights of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid
The XLogP value of 1.9003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 58.89 Ų, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
The CAS number of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid is 1005040-08-3.
What is the molecular formula of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
The molecular formula of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid is C13H13NO3.
What is the molecular weight of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
The molecular weight of 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid is 231.09 g/mol.
Where can I buy 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
You can request a quote for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.