![5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine structure](/static/products/1603/16031-87-1.webp)
5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine
TL;DR: 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine (CAS 16031-87-1) is a chemical compound with molecular formula C18H21N and molecular weight 251.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-propan-2-yl-10,12-dihydro-5H-benzo[d][2]benzazocine
Also Known As: 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine, 11-propan-2-yl-10,12-dihydro-5H-benzo[d][2]benzazocine, 6-(propan-2-yl)-5,6,7,12-tetrahydrodibenzo[c,f]azocine
| Molecular Formula | C18H21N |
|---|---|
| Molecular Weight | 251.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.1674 |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 16031-87-1 |
|---|---|
| SMILES | CC(C)N1CC2=CC=CC=C2CC3=CC=CC=C3C1 |
| InChIKey | HVEYCSQGCPNDDM-UHFFFAOYSA-N |
Product Overview
5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine (CAS 16031-87-1), with molecular formula C18H21N and molecular weight 251.17 g/mol. IUPAC: 11-propan-2-yl-10,12-dihydro-5H-benzo[d][2]benzazocine.
Chemical Property Profile of 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine
Property Insights of 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine
The XLogP value of 4.1 indicates that 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine 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 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine?
The CAS number of 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine is 16031-87-1.
What is the molecular formula of 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine?
The molecular formula of 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine is C18H21N.
What is the molecular weight of 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine?
The molecular weight of 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine is 251.17 g/mol.
Where can I buy 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine?
You can request a quote for 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,12-Tetrahydro-6-(1-methylethyl)dibenz[c,f]azocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.