1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (CAS 301352-55-6) is a chemical compound with molecular formula C14H19N and molecular weight 201.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinoline
Also Known As: TimTec1_008263, BAS 00329588, 1-allyl-3,3-dimethyl-2,4-dihydro-1H-isoquinoline, 1-allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline, BRD-A40277815-001-01-6
| Molecular Formula | C14H19N |
|---|---|
| Molecular Weight | 201.15 g/mol |
| LogP | 3.2281 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.15175 |
| Heavy Atoms | 15 |
| Complexity | 365.35638 |
Chemical Identifiers
| CAS Number | 301352-55-6 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(N1)CC=C)C |
Product Overview
1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (CAS 301352-55-6), with molecular formula C14H19N and molecular weight 201.15 g/mol. IUPAC: 3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.2281 indicates that 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3,3-dimethyl-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 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is 301352-55-6.
What is the molecular formula of 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is C14H19N.
What is the molecular weight of 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is 201.15 g/mol.
Where can I buy 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-Allyl-3,3-dimethyl-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 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.