3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium
TL;DR: 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium (CAS 6710-66-3) is a chemical compound with molecular formula C14H20NO+ and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium
Also Known As: 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium, N-[(3,4-Dihydro-1H-2-benzopyran-1-yl)methyl]-2-methylprop-2-en-1-aminium
| Molecular Formula | C14H20NO+ |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 1.4399 |
| Topological Polar Surface Area | 25.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.1545 |
| Heavy Atoms | 16 |
| Complexity | 372.75302 |
Chemical Identifiers
| CAS Number | 6710-66-3 |
|---|---|
| SMILES | CC(=C)C[NH2+]CC1C2=CC=CC=C2CCO1 |
Product Overview
3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium (CAS 6710-66-3), with molecular formula C14H20NO+ and molecular weight 218.15 g/mol. IUPAC: 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium.
Chemical Property Profile of 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium
Property Insights of 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium
The XLogP value of 1.4399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium. With a topological polar surface area (TPSA) of 25.84 Ų, 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium 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 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium?
The CAS number of 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium is 6710-66-3.
What is the molecular formula of 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium?
The molecular formula of 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium is C14H20NO+.
What is the molecular weight of 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium?
The molecular weight of 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium is 218.15 g/mol.
Where can I buy 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium?
You can request a quote for 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.