3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline (CAS 212611-15-9) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R)-1-methyl-3-prop-2-enyl-1,2,3,4-tetrahydroisoquinoline
Also Known As: 3-allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline, BAS 02800974, J1.061.740E, AI-020/34272007, (1R,3R)-1-methyl-3-prop-2-enyl-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 2.838 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 329.7624 |
Chemical Identifiers
| CAS Number | 212611-15-9 |
|---|---|
| SMILES | C[C@@H]1C2=CC=CC=C2C[C@H](N1)CC=C |
Product Overview
3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline (CAS 212611-15-9), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: (1R,3R)-1-methyl-3-prop-2-enyl-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 12.03 Ų, 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline has 1 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-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline is 212611-15-9.
What is the molecular formula of 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline is C13H17N.
What is the molecular weight of 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline is 187.14 g/mol.
Where can I buy 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 3-Allyl-1-methyl-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 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-1-methyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.