3-Benzylquinoline
TL;DR: 3-Benzylquinoline (CAS 37045-16-2) is a chemical compound with molecular formula C16H13N and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylquinoline
Also Known As: 3-Benzylquinoline, 3-benzyl-quinoline, Quinoline,3-(phenylmethyl)-, RefChem:93079
| Molecular Formula | C16H13N |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.1048 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 37045-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC3=CC=CC=C3N=C2 |
| InChIKey | QVMSGEZMPYTLKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzylquinoline (CAS 37045-16-2), with molecular formula C16H13N and molecular weight 219.10 g/mol. IUPAC: 3-benzylquinoline.
Chemical Property Profile of 3-Benzylquinoline
Property Insights of 3-Benzylquinoline
The XLogP value of 4.1 indicates that 3-Benzylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 3-Benzylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylquinoline has 0 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 3-Benzylquinoline?
The CAS number of 3-Benzylquinoline is 37045-16-2.
What is the molecular formula of 3-Benzylquinoline?
The molecular formula of 3-Benzylquinoline is C16H13N.
What is the molecular weight of 3-Benzylquinoline?
The molecular weight of 3-Benzylquinoline is 219.10 g/mol.
Where can I buy 3-Benzylquinoline?
You can request a quote for 3-Benzylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.