3,4-Dihydro-1-(phenylmethyl)isoquinoline
TL;DR: 3,4-Dihydro-1-(phenylmethyl)isoquinoline (CAS 24853-83-6) is a chemical compound with molecular formula C16H15N and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,4-dihydroisoquinoline
Also Known As: 1-Benzyl-3,4-dihydroisoquinoline, 1BnDIQ, 1-benzyl-3,4-dihydro-isoquinoline, 3,4-Dihydro-1-(phenylmethyl)isoquinoline, ISOQUINOLINE, 3,4-DIHYDRO-1-BENZYL-
| Molecular Formula | C16H15N |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.12045 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 24853-83-6 |
|---|---|
| SMILES | C1CN=C(C2=CC=CC=C21)CC3=CC=CC=C3 |
| InChIKey | BQIIGTSQOCWPDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-1-(phenylmethyl)isoquinoline (CAS 24853-83-6), with molecular formula C16H15N and molecular weight 221.12 g/mol. IUPAC: 1-benzyl-3,4-dihydroisoquinoline.
Chemical Property Profile of 3,4-Dihydro-1-(phenylmethyl)isoquinoline
Property Insights of 3,4-Dihydro-1-(phenylmethyl)isoquinoline
The XLogP value of 3.2 indicates that 3,4-Dihydro-1-(phenylmethyl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, 3,4-Dihydro-1-(phenylmethyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-1-(phenylmethyl)isoquinoline 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 3,4-Dihydro-1-(phenylmethyl)isoquinoline?
The CAS number of 3,4-Dihydro-1-(phenylmethyl)isoquinoline is 24853-83-6.
What is the molecular formula of 3,4-Dihydro-1-(phenylmethyl)isoquinoline?
The molecular formula of 3,4-Dihydro-1-(phenylmethyl)isoquinoline is C16H15N.
What is the molecular weight of 3,4-Dihydro-1-(phenylmethyl)isoquinoline?
The molecular weight of 3,4-Dihydro-1-(phenylmethyl)isoquinoline is 221.12 g/mol.
Where can I buy 3,4-Dihydro-1-(phenylmethyl)isoquinoline?
You can request a quote for 3,4-Dihydro-1-(phenylmethyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-1-(phenylmethyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-1-(phenylmethyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.