4-Benzylisoquinoline
TL;DR: 4-Benzylisoquinoline (CAS 5632-14-4) 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.
4-benzylisoquinoline
Also Known As: 4-benzylisoquinoline, 4-Benzyl-isoquinoline, 4-Benzylisochinolin, isoquinoline, 4-(phenylmethyl)-, InChI=1/C16H13N/c1-2-6-13(7-3-1)10-15-12-17-11-14-8-4-5-9-16(14)15/h1-9,11-12H,10H
| Molecular Formula | C16H13N |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 4.0 |
| 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 | 5632-14-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CN=CC3=CC=CC=C32 |
| InChIKey | MXOJQXCHSCJYKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzylisoquinoline (CAS 5632-14-4), with molecular formula C16H13N and molecular weight 219.10 g/mol. IUPAC: 4-benzylisoquinoline.
Chemical Property Profile of 4-Benzylisoquinoline
Property Insights of 4-Benzylisoquinoline
The XLogP value of 4.0 indicates that 4-Benzylisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Benzylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylisoquinoline 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 4-Benzylisoquinoline?
The CAS number of 4-Benzylisoquinoline is 5632-14-4.
What is the molecular formula of 4-Benzylisoquinoline?
The molecular formula of 4-Benzylisoquinoline is C16H13N.
What is the molecular weight of 4-Benzylisoquinoline?
The molecular weight of 4-Benzylisoquinoline is 219.10 g/mol.
Where can I buy 4-Benzylisoquinoline?
You can request a quote for 4-Benzylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.