2-but-2-enyl-3,4-dihydro-1H-isoquinoline
TL;DR: 2-but-2-enyl-3,4-dihydro-1H-isoquinoline (CAS 211568-35-3) 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.
2-but-2-enyl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-but-2-enyl-3,4-dihydro-1H-isoquinoline, 2-(but-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 2-(2Z)-2-butenyl-1,2,3,4-tetrahydro-
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 2.6208 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 327.7624 |
Chemical Identifiers
| CAS Number | 211568-35-3 |
|---|---|
| SMILES | CC=CCN1CCC2=CC=CC=C2C1 |
Product Overview
2-but-2-enyl-3,4-dihydro-1H-isoquinoline (CAS 211568-35-3), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 2-but-2-enyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-but-2-enyl-3,4-dihydro-1H-isoquinoline
Property Insights of 2-but-2-enyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 2.6208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-but-2-enyl-3,4-dihydro-1H-isoquinoline. With a topological polar surface area (TPSA) of 3.24 Ų, 2-but-2-enyl-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-but-2-enyl-3,4-dihydro-1H-isoquinoline 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-but-2-enyl-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-but-2-enyl-3,4-dihydro-1H-isoquinoline is 211568-35-3.
What is the molecular formula of 2-but-2-enyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-but-2-enyl-3,4-dihydro-1H-isoquinoline is C13H17N.
What is the molecular weight of 2-but-2-enyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-but-2-enyl-3,4-dihydro-1H-isoquinoline is 187.14 g/mol.
Where can I buy 2-but-2-enyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-but-2-enyl-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-but-2-enyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-but-2-enyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.