1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-
TL;DR: 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- (CAS 39161-60-9) is a chemical compound with molecular formula C12H18N2 and molecular weight 190.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dimethyl-2,3,4,5-tetrahydro-1,6-benzodiazocine
Also Known As: 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-, 1,6-dimethyl-2,3,4,5-tetrahydro-1,6-benzodiazocine, 1,6-Dimethyl-1,2,3,4,5,6-hexahydro-1,6-benzodiazocine, 1,6-dimethyl-1,2,3,4,5,6-hexahydro-benzo[b][1,4]diazocine
| Molecular Formula | C12H18N2 |
|---|---|
| Molecular Weight | 190.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.147 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 39161-60-9 |
|---|---|
| SMILES | CN1CCCCN(C2=CC=CC=C21)C |
| InChIKey | XPYGCAVFYFZUOO-UHFFFAOYSA-N |
Product Overview
1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- (CAS 39161-60-9), with molecular formula C12H18N2 and molecular weight 190.15 g/mol. IUPAC: 1,6-dimethyl-2,3,4,5-tetrahydro-1,6-benzodiazocine.
Chemical Property Profile of 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-
Property Insights of 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-. With a topological polar surface area (TPSA) of 6.5 Ų, 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- has 0 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 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-?
The CAS number of 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- is 39161-60-9.
What is the molecular formula of 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-?
The molecular formula of 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- is C12H18N2.
What is the molecular weight of 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-?
The molecular weight of 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- is 190.15 g/mol.
Where can I buy 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-?
You can request a quote for 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Benzodiazocine, 1,2,3,4,5,6-hexahydro-1,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.