Benzoctamine Hydrochloride
TL;DR: Benzoctamine Hydrochloride (CAS 10085-81-1) is a chemical compound with molecular formula C18H20ClN and molecular weight 285.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride
Also Known As: Benzoctamine hydrochloride, Tacitin, Benzoctamine HCl, Tracitin, Tacitine
| Molecular Formula | C18H20ClN |
|---|---|
| Molecular Weight | 285.13 g/mol |
| LogP | 3.85 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.12842 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 10085-81-1 |
|---|---|
| SMILES | CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl |
| InChIKey | NZPJYSIIKYJREH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoctamine Hydrochloride (CAS 10085-81-1), with molecular formula C18H20ClN and molecular weight 285.13 g/mol. IUPAC: N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride.
Chemical Property Profile of Benzoctamine Hydrochloride
Property Insights of Benzoctamine Hydrochloride
The XLogP value of 3.85 indicates that Benzoctamine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Benzoctamine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoctamine Hydrochloride has 2 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 Benzoctamine Hydrochloride?
The CAS number of Benzoctamine Hydrochloride is 10085-81-1.
What is the molecular formula of Benzoctamine Hydrochloride?
The molecular formula of Benzoctamine Hydrochloride is C18H20ClN.
What is the molecular weight of Benzoctamine Hydrochloride?
The molecular weight of Benzoctamine Hydrochloride is 285.13 g/mol.
Where can I buy Benzoctamine Hydrochloride?
You can request a quote for Benzoctamine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoctamine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoctamine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.