Bencyclane
TL;DR: Bencyclane (CAS 2179-37-5) is a chemical compound with molecular formula C19H31NO and molecular weight 289.24057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine
Also Known As: benzcyclane, Benzcyclan, Benciclano, Bencyclanum, Bencyclan
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H31NO |
| Molecular Weight | 289.24057 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.24057 Da |
| Heavy Atoms | 21 |
| Complexity | 263.0 |
| SMILES | CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2 |
| InChIKey | FYJJXENSONZJRG-UHFFFAOYSA-N |
Product Description
Applications: Bencyclane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Bencyclane is a pharmaceutical intermediate identified by CAS number 2179-37-5 and the molecular formula C19H31NO and a molecular weight of 289.24 g/mol. Synonyms include benzcyclane and Benzcyclan.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bencyclane
Property Insights of Bencyclane
The XLogP value of 4.6 indicates that Bencyclane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Bencyclane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bencyclane 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
What is the CAS number of Bencyclane?
The CAS number of Bencyclane is 2179-37-5.
What is the molecular formula of Bencyclane?
The molecular formula of Bencyclane is C19H31NO.
What is the molecular weight of Bencyclane?
The molecular weight of Bencyclane is 289.24057 g/mol.
What are the applications of Bencyclane?
Bencyclane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Bencyclane?
You can request a quote for Bencyclane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bencyclane?
Yes, CoreyChem provides custom synthesis services for Bencyclane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.