1-Allylelymoclavine
TL;DR: 1-Allylelymoclavine (CAS 91897-50-6) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,10aR)-7-methyl-4-prop-2-enyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
Also Known As: 1-Allylelymoclavine, 8,9-Didehydro-6-methyl-2-(2-propenyl)ergoline-8-methanol, Ergoline-8-methanol, 8,9-didehydro-6-methyl-2-(2-propenyl)-, [6-methyl-1-(prop-2-en-1-yl)-8,9-didehydroergolin-8-yl]methanol, Ergoline-8-methanol, 8,9-didehydro-6-methyl-1-(2-methylpropyl)-
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 28.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 91897-50-6 |
|---|---|
| SMILES | CN1CC(=C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)CC=C)CO |
| InChIKey | INGYAWPTEWYFHI-SJLPKXTDSA-N |
Product Overview
1-Allylelymoclavine (CAS 91897-50-6), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: [(6aR,10aR)-7-methyl-4-prop-2-enyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol.
Chemical Property Profile of 1-Allylelymoclavine
Property Insights of 1-Allylelymoclavine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allylelymoclavine. With a topological polar surface area (TPSA) of 28.4 Ų, 1-Allylelymoclavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allylelymoclavine has 1 hydrogen bond donor(s) and 2 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-Allylelymoclavine?
The CAS number of 1-Allylelymoclavine is 91897-50-6.
What is the molecular formula of 1-Allylelymoclavine?
The molecular formula of 1-Allylelymoclavine is C19H22N2O.
What is the molecular weight of 1-Allylelymoclavine?
The molecular weight of 1-Allylelymoclavine is 294.17 g/mol.
Where can I buy 1-Allylelymoclavine?
You can request a quote for 1-Allylelymoclavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allylelymoclavine?
Yes, KEHONG BIO provides custom synthesis services for 1-Allylelymoclavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.