1H-Azepine, hexahydro-3,3,5-trimethyl-
TL;DR: 1H-Azepine, hexahydro-3,3,5-trimethyl- (CAS 35466-89-8) is a chemical compound with molecular formula C9H19N and molecular weight 141.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethylazepane
Also Known As: 3,3,5-Trimethylazepane, 1H-Azepine, hexahydro-3,3,5-trimethyl-, 3,3,5-trimethylazepan, 3,3,5-Trimethyl-1-azacycloheptane, 3,3,5-Trimethylazepane #
| Molecular Formula | C9H19N |
|---|---|
| Molecular Weight | 141.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.15175 |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 35466-89-8 |
|---|---|
| SMILES | CC1CCNCC(C1)(C)C |
| InChIKey | YBRAVTNTXVZNMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Azepine, hexahydro-3,3,5-trimethyl- (CAS 35466-89-8), with molecular formula C9H19N and molecular weight 141.15 g/mol. IUPAC: 3,3,5-trimethylazepane.
Chemical Property Profile of 1H-Azepine, hexahydro-3,3,5-trimethyl-
Property Insights of 1H-Azepine, hexahydro-3,3,5-trimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine, hexahydro-3,3,5-trimethyl-. With a topological polar surface area (TPSA) of 12.0 Ų, 1H-Azepine, hexahydro-3,3,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine, hexahydro-3,3,5-trimethyl- has 1 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 1H-Azepine, hexahydro-3,3,5-trimethyl-?
The CAS number of 1H-Azepine, hexahydro-3,3,5-trimethyl- is 35466-89-8.
What is the molecular formula of 1H-Azepine, hexahydro-3,3,5-trimethyl-?
The molecular formula of 1H-Azepine, hexahydro-3,3,5-trimethyl- is C9H19N.
What is the molecular weight of 1H-Azepine, hexahydro-3,3,5-trimethyl-?
The molecular weight of 1H-Azepine, hexahydro-3,3,5-trimethyl- is 141.15 g/mol.
Where can I buy 1H-Azepine, hexahydro-3,3,5-trimethyl-?
You can request a quote for 1H-Azepine, hexahydro-3,3,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine, hexahydro-3,3,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, hexahydro-3,3,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.