![4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid structure](/static/products/5248/52482-09-4.webp)
4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid
TL;DR: 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid (CAS 52482-09-4) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid
Also Known As: Not Available, 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid, 5905AD, 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid, I04-5716
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 0.6259 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 223.72557 |
Chemical Identifiers
| CAS Number | 52482-09-4 |
|---|---|
| SMILES | C1CC2C(C1)ON=C2C(=O)O |
Product Overview
4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid (CAS 52482-09-4), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid.
Chemical Property Profile of 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid
Property Insights of 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid
The XLogP value of 0.6259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid. With a topological polar surface area (TPSA) of 58.89 Ų, 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-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 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid?
The CAS number of 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid is 52482-09-4.
What is the molecular formula of 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid?
The molecular formula of 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid is C7H9NO3.
What is the molecular weight of 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid?
The molecular weight of 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid is 155.06 g/mol.
Where can I buy 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid?
You can request a quote for 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,6a-Tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.