1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine
TL;DR: 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine (CAS 39161-58-5) is a chemical compound with molecular formula C10H14N2 and molecular weight 162.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
Also Known As: 1,2,3,4,5,6-hexahydro-1,6-benzodiazocine, 2-Bromo-3,5-dichloropyridine, 1,2,3,4,5,6-Hexahydro-benzo[b][1,4]diazocine, N,N'-Tetramethylen-o-phenylendiamin, 1,6-Benzodiazocine,1,2,3,4,5,6-hexahydro-
| Molecular Formula | C10H14N2 |
|---|---|
| Molecular Weight | 162.12 g/mol |
| LogP | 2.3042 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.11569 |
| Heavy Atoms | 12 |
| Complexity | 230.77042 |
Chemical Identifiers
| CAS Number | 39161-58-5 |
|---|---|
| SMILES | C1CCNC2=CC=CC=C2NC1 |
Product Overview
1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine (CAS 39161-58-5), with molecular formula C10H14N2 and molecular weight 162.12 g/mol. IUPAC: 1,2,3,4,5,6-hexahydro-1,6-benzodiazocine.
Chemical Property Profile of 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine
Property Insights of 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine
The XLogP value of 2.3042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine. With a topological polar surface area (TPSA) of 24.06 Ų, 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine 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 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine?
The CAS number of 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine is 39161-58-5.
What is the molecular formula of 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine?
The molecular formula of 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine is C10H14N2.
What is the molecular weight of 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine?
The molecular weight of 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine is 162.12 g/mol.
Where can I buy 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine?
You can request a quote for 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.