苄环烷
TL;DR: 苄环烷 (CAS 2179-37-5) is a chemical compound with molecular formula C19H31NO and molecular weight 289.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄环烷
3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine
Also Known As: benzcyclane, Benzcyclan, Benciclano, Bencyclanum, Bencyclan
| Molecular Formula | C19H31NO |
|---|---|
| Molecular Weight | 289.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.24057 |
| Heavy Atoms | 21 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 2179-37-5 |
|---|---|
| SMILES | CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2 |
| InChIKey | FYJJXENSONZJRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄环烷 (CAS 2179-37-5), with molecular formula C19H31NO and molecular weight 289.24 g/mol. IUPAC: 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 苄环烷
Property Insights of 苄环烷
The XLogP value of 4.6 indicates that 苄环烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 苄环烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄环烷 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 苄环烷?
The CAS number of 苄环烷 is 2179-37-5.
What is the molecular formula of 苄环烷?
The molecular formula of 苄环烷 is C19H31NO.
What is the molecular weight of 苄环烷?
The molecular weight of 苄环烷 is 289.24 g/mol.
Where can I buy 苄环烷?
You can request a quote for 苄环烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄环烷?
Yes, KEHONG BIO provides custom synthesis services for 苄环烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.