6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine
TL;DR: 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine (CAS 58335-96-9) 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.
6-butyl-5,7-dihydrobenzo[d][2]benzazepine
Also Known As: 6-butyl-6,7-dihydro-5h-dibenzo[c,e]azepine, Ro 2-3299, 6-butyl-5,7-dihydrobenzo[d][2]benzazepine, 6-butyl-6,7-dihydro-5h-dibenz[c,e]azepine, Ro-2-3299
| Molecular Formula | C18H21N |
|---|---|
| Molecular Weight | 251.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.1674 |
| Heavy Atoms | 19 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 58335-96-9 |
|---|---|
| SMILES | CCCCN1CC2=CC=CC=C2C3=CC=CC=C3C1 |
| InChIKey | DUUCAGQAOMZIGC-UHFFFAOYSA-N |
Product Overview
6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine (CAS 58335-96-9), with molecular formula C18H21N and molecular weight 251.17 g/mol. IUPAC: 6-butyl-5,7-dihydrobenzo[d][2]benzazepine.
Chemical Property Profile of 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine
Property Insights of 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine
The XLogP value of 4.2 indicates that 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine 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 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine?
The CAS number of 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine is 58335-96-9.
What is the molecular formula of 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine?
The molecular formula of 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine is C18H21N.
What is the molecular weight of 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine?
The molecular weight of 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine is 251.17 g/mol.
Where can I buy 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine?
You can request a quote for 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine?
Yes, KEHONG BIO provides custom synthesis services for 6-Butyl-6,7-dihydro-5H-dibenzo(c,e)azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.