9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole
TL;DR: 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole (CAS 15918-85-1) is a chemical compound with molecular formula C12H13FN2 and molecular weight 204.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Also Known As: 9-fluoro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole, AZEPINO(4,5-b)INDOLE, 9-FLUORO-1,2,3,4,5,6-HEXAHYDRO-, 5-23-07-00378 (Beilstein Handbook Reference), 9-Fluoro-1,2,3,4,5,6-hexahydro-azepino(4,5-b)indole, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-fluoro-
| Molecular Formula | C12H13FN2 |
|---|---|
| Molecular Weight | 204.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.10628 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 15918-85-1 |
|---|---|
| SMILES | C1CNCCC2=C1C3=C(N2)C=CC(=C3)F |
| InChIKey | PAOLJJUVRCDQAE-UHFFFAOYSA-N |
Product Overview
9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole (CAS 15918-85-1), with molecular formula C12H13FN2 and molecular weight 204.11 g/mol. IUPAC: 9-fluoro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole.
Chemical Property Profile of 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole
Property Insights of 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole. With a topological polar surface area (TPSA) of 27.8 Ų, 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole 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 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole?
The CAS number of 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole is 15918-85-1.
What is the molecular formula of 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole?
The molecular formula of 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole is C12H13FN2.
What is the molecular weight of 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole?
The molecular weight of 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole is 204.11 g/mol.
Where can I buy 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole?
You can request a quote for 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.