(2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid
TL;DR: (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid (CAS 109523-13-9) is a chemical compound with molecular formula C14H23NO4 and molecular weight 269.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3aR,7aR)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Also Known As: (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid, (2R,3aR,7aR)-1-tert-butoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid, (2R,3aR,7aR)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
| Molecular Formula | C14H23NO4 |
|---|---|
| Molecular Weight | 269.16 g/mol |
| LogP | 2.6392 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.16272 |
| Heavy Atoms | 19 |
| Complexity | 374.13248 |
Chemical Identifiers
| CAS Number | 109523-13-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)O |
Product Overview
(2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid (CAS 109523-13-9), with molecular formula C14H23NO4 and molecular weight 269.16 g/mol. IUPAC: (2R,3aR,7aR)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.
Chemical Property Profile of (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid
Property Insights of (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid
The XLogP value of 2.6392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-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 (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid?
The CAS number of (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid is 109523-13-9.
What is the molecular formula of (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid?
The molecular formula of (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid is C14H23NO4.
What is the molecular weight of (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid?
The molecular weight of (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid is 269.16 g/mol.
Where can I buy (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid?
You can request a quote for (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,3aR,7aR)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.