3-methyl-octahydro-1H-indole
TL;DR: 3-methyl-octahydro-1H-indole (CAS 37865-94-4) is a chemical compound with molecular formula C9H17N and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
Also Known As: 3-methyl-octahydro-1H-indole, Perhydroskatol, Skatole, perhydro-, 3-Methyloctahydro-1H-indole, 3-methyl-octahydroindole
| Molecular Formula | C9H17N |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 37865-94-4 |
|---|---|
| SMILES | CC1CNC2C1CCCC2 |
| InChIKey | ZCJGZUQXRFHPQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-octahydro-1H-indole (CAS 37865-94-4), with molecular formula C9H17N and molecular weight 139.14 g/mol. IUPAC: 3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
Chemical Property Profile of 3-methyl-octahydro-1H-indole
Property Insights of 3-methyl-octahydro-1H-indole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-octahydro-1H-indole. With a topological polar surface area (TPSA) of 12.0 Ų, 3-methyl-octahydro-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-octahydro-1H-indole has 1 hydrogen bond donor(s) and 1 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-methyl-octahydro-1H-indole?
The CAS number of 3-methyl-octahydro-1H-indole is 37865-94-4.
What is the molecular formula of 3-methyl-octahydro-1H-indole?
The molecular formula of 3-methyl-octahydro-1H-indole is C9H17N.
What is the molecular weight of 3-methyl-octahydro-1H-indole?
The molecular weight of 3-methyl-octahydro-1H-indole is 139.14 g/mol.
Where can I buy 3-methyl-octahydro-1H-indole?
You can request a quote for 3-methyl-octahydro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-octahydro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-octahydro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.