1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid
TL;DR: 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid (CAS 885953-69-5) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic acid
Also Known As: octahydro-1H-isoindole-3a-carboxylic acid, 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid, Octahydro-3aH-isoindole-3a-carboxylic acid
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.8508 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 204.70522 |
Chemical Identifiers
| CAS Number | 885953-69-5 |
|---|---|
| SMILES | C1CCC2(CNCC2C1)C(=O)O |
Product Overview
1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid (CAS 885953-69-5), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic acid.
Chemical Property Profile of 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid
Property Insights of 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid
The XLogP value of 0.8508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid. With a topological polar surface area (TPSA) of 49.33 Ų, 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid has 2 hydrogen bond donor(s) and 2 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 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid?
The CAS number of 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid is 885953-69-5.
What is the molecular formula of 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid?
The molecular formula of 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid is C9H15NO2.
What is the molecular weight of 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid?
The molecular weight of 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid is 169.11 g/mol.
Where can I buy 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid?
You can request a quote for 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.