3,3a,4,5,6,7-Hexahydro-2H-indole
TL;DR: 3,3a,4,5,6,7-Hexahydro-2H-indole (CAS 18159-32-5) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3a,4,5,6,7-hexahydro-2H-indole
Also Known As: Hexahydroindole, 3,3a,4,5,6,7-Hexahydro-2H-indole, 3,3a,4,5,6,7-Hexahydro-2H-indole #
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 18159-32-5 |
|---|---|
| SMILES | C1CCC2=NCCC2C1 |
| InChIKey | IEWMLMIWOUFWAP-UHFFFAOYSA-N |
Product Overview
3,3a,4,5,6,7-Hexahydro-2H-indole (CAS 18159-32-5), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 3,3a,4,5,6,7-hexahydro-2H-indole.
Chemical Property Profile of 3,3a,4,5,6,7-Hexahydro-2H-indole
Property Insights of 3,3a,4,5,6,7-Hexahydro-2H-indole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3a,4,5,6,7-Hexahydro-2H-indole. With a topological polar surface area (TPSA) of 12.4 Ų, 3,3a,4,5,6,7-Hexahydro-2H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3a,4,5,6,7-Hexahydro-2H-indole has 0 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 3,3a,4,5,6,7-Hexahydro-2H-indole?
The CAS number of 3,3a,4,5,6,7-Hexahydro-2H-indole is 18159-32-5.
What is the molecular formula of 3,3a,4,5,6,7-Hexahydro-2H-indole?
The molecular formula of 3,3a,4,5,6,7-Hexahydro-2H-indole is C8H13N.
What is the molecular weight of 3,3a,4,5,6,7-Hexahydro-2H-indole?
The molecular weight of 3,3a,4,5,6,7-Hexahydro-2H-indole is 123.10 g/mol.
Where can I buy 3,3a,4,5,6,7-Hexahydro-2H-indole?
You can request a quote for 3,3a,4,5,6,7-Hexahydro-2H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3a,4,5,6,7-Hexahydro-2H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3,3a,4,5,6,7-Hexahydro-2H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.