3,4-Dihydroisoquinoline
TL;DR: 3,4-Dihydroisoquinoline (CAS 3230-65-7) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroisoquinoline
Also Known As: 3,4-Dihydroisoquinoline, 3,4-dihydro-isoquinoline, Isoquinoline, 3,4-dihydro-, Isoquinoline,4-dihydro-, Isoquinoline,3,4-dihydro-
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 3230-65-7 |
|---|---|
| SMILES | C1CN=CC2=CC=CC=C21 |
| InChIKey | NKSZCPBUWGZONP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydroisoquinoline (CAS 3230-65-7), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 3,4-dihydroisoquinoline.
Chemical Property Profile of 3,4-Dihydroisoquinoline
Property Insights of 3,4-Dihydroisoquinoline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroisoquinoline. With a topological polar surface area (TPSA) of 12.4 Ų, 3,4-Dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydroisoquinoline 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-Dihydroisoquinoline?
The CAS number of 3,4-Dihydroisoquinoline is 3230-65-7.
What is the molecular formula of 3,4-Dihydroisoquinoline?
The molecular formula of 3,4-Dihydroisoquinoline is C9H9N.
What is the molecular weight of 3,4-Dihydroisoquinoline?
The molecular weight of 3,4-Dihydroisoquinoline is 131.07 g/mol.
Where can I buy 3,4-Dihydroisoquinoline?
You can request a quote for 3,4-Dihydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.