2-Allyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-Allyl-1,2,3,4-tetrahydroisoquinoline (CAS 2079-11-0) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-allyl-1,2,3,4-tetrahydroisoquinoline, 2-prop-2-enyl-3,4-dihydro-1H-isoquinoline, N-allyl 1,2,3,4-tetrahydroisoquinoline, 2-allyl-1,2,3,4-tetrahydro-isoquinoline, 2-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.2307 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 303.7477 |
Chemical Identifiers
| CAS Number | 2079-11-0 |
|---|---|
| SMILES | C=CCN1CCC2=CC=CC=C2C1 |
Product Overview
2-Allyl-1,2,3,4-tetrahydroisoquinoline (CAS 2079-11-0), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2-prop-2-enyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-Allyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-Allyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.2307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Allyl-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 3.24 Ų, 2-Allyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allyl-1,2,3,4-tetrahydroisoquinoline 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 2-Allyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-Allyl-1,2,3,4-tetrahydroisoquinoline is 2079-11-0.
What is the molecular formula of 2-Allyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-Allyl-1,2,3,4-tetrahydroisoquinoline is C12H15N.
What is the molecular weight of 2-Allyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-Allyl-1,2,3,4-tetrahydroisoquinoline is 173.12 g/mol.
Where can I buy 2-Allyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-Allyl-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Allyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.