苄基异喹啉
TL;DR: 苄基异喹啉 (CAS 6907-59-1) 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.
苄基异喹啉
1-benzylisoquinoline
Also Known As: 1-Benzylisoquinoline, Benzylisoquinoline, Isoquinoline, 1-benzyl-, 1-benzyl-isoquinoline, Isoquinoline, 1-(phenylmethyl)-
| 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 | 6907-59-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32 |
| InChIKey | IZTUINVRJSCOIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基异喹啉 (CAS 6907-59-1), with molecular formula C16H13N and molecular weight 219.10 g/mol. IUPAC: 1-benzylisoquinoline.
Chemical Property Profile of 苄基异喹啉
Property Insights of 苄基异喹啉
The XLogP value of 4.1 indicates that 苄基异喹啉 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 苄基异喹啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基异喹啉 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 苄基异喹啉?
The CAS number of 苄基异喹啉 is 6907-59-1.
What is the molecular formula of 苄基异喹啉?
The molecular formula of 苄基异喹啉 is C16H13N.
What is the molecular weight of 苄基异喹啉?
The molecular weight of 苄基异喹啉 is 219.10 g/mol.
Where can I buy 苄基异喹啉?
You can request a quote for 苄基异喹啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基异喹啉?
Yes, KEHONG BIO provides custom synthesis services for 苄基异喹啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.