1-Butyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-Butyl-1,2,3,4-tetrahydroisoquinoline (CAS 78702-75-7) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-1,2,3,4-tetrahydroisoquinoline
Also Known As: 1-Butyl-1,2,3,4-tetrahydroisoquinoline, 1-n-butyltetrahydroisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-1-butyl, 1,2,3,4-Tetrahydro-1-butylisoquinoline, 1-butyl-1,2,3,4-tetrahydro-isoquinoline
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 78702-75-7 |
|---|---|
| SMILES | CCCCC1C2=CC=CC=C2CCN1 |
| InChIKey | NEMBFAJWTUSZDU-UHFFFAOYSA-N |
Product Overview
1-Butyl-1,2,3,4-tetrahydroisoquinoline (CAS 78702-75-7), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 1-butyl-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 1-Butyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-Butyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.2 indicates that 1-Butyl-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 12.0 Ų, 1-Butyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-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-Butyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-Butyl-1,2,3,4-tetrahydroisoquinoline is 78702-75-7.
What is the molecular formula of 1-Butyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-Butyl-1,2,3,4-tetrahydroisoquinoline is C13H19N.
What is the molecular weight of 1-Butyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-Butyl-1,2,3,4-tetrahydroisoquinoline is 189.15 g/mol.
Where can I buy 1-Butyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-Butyl-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-Butyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.