Bencyclane (fumarate)
TL;DR: Bencyclane (fumarate) (CAS 14286-84-1) is a chemical compound with molecular formula C23H35NO5 and molecular weight 405.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;but-2-enedioic acid
Also Known As: Bencyclane (fumarate)
| Molecular Formula | C23H35NO5 |
|---|---|
| Molecular Weight | 405.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.25153 |
| Heavy Atoms | 29 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 14286-84-1 |
|---|---|
| SMILES | CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
| InChIKey | LSTKNZAMFRGXCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bencyclane (fumarate) (CAS 14286-84-1), with molecular formula C23H35NO5 and molecular weight 405.25 g/mol. IUPAC: 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;but-2-enedioic acid.
Chemical Property Profile of Bencyclane (fumarate)
Property Insights of Bencyclane (fumarate)
The XLogP value of 4.0 indicates that Bencyclane (fumarate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bencyclane (fumarate). Following Lipinski's Rule of Five, Bencyclane (fumarate) has 2 hydrogen bond donor(s) and 6 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 Bencyclane (fumarate)?
The CAS number of Bencyclane (fumarate) is 14286-84-1.
What is the molecular formula of Bencyclane (fumarate)?
The molecular formula of Bencyclane (fumarate) is C23H35NO5.
What is the molecular weight of Bencyclane (fumarate)?
The molecular weight of Bencyclane (fumarate) is 405.25 g/mol.
Where can I buy Bencyclane (fumarate)?
You can request a quote for Bencyclane (fumarate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bencyclane (fumarate)?
Yes, KEHONG BIO provides custom synthesis services for Bencyclane (fumarate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.