![3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid structure](/static/products/6812/681260-25-3.webp)
3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid
TL;DR: 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid (CAS 681260-25-3) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole-3-carboxylic acid
Also Known As: 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid, 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole-3-carboxylic acid, 3a,4,5,6,7,8,9,9a-Octahydro-cycloocta[d]isoxazole-3-carboxylic acid, 9-oxa-10-azabicyclo[6.3.0]undec-10-ene-11-carboxylic Acid, 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylicacid
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | 1.7962 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 262.0927 |
Chemical Identifiers
| CAS Number | 681260-25-3 |
|---|---|
| SMILES | C1CCCC2C(CC1)C(=NO2)C(=O)O |
Product Overview
3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid (CAS 681260-25-3), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole-3-carboxylic acid.
Chemical Property Profile of 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid
Property Insights of 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid
The XLogP value of 1.7962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid. With a topological polar surface area (TPSA) of 58.89 Ų, 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3A,4,5,6,7,8,9,9a-octahydrocycloocta[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 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid?
The CAS number of 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid is 681260-25-3.
What is the molecular formula of 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid?
The molecular formula of 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid is C10H15NO3.
What is the molecular weight of 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid?
The molecular weight of 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid is 197.11 g/mol.
Where can I buy 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid?
You can request a quote for 3A,4,5,6,7,8,9,9a-octahydrocycloocta[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 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3A,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.