Elymoclavine
TL;DR: Elymoclavine (CAS 91106-37-5) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Also Known As: ELYMOCLAVINE, Elymoclavin, elymoklavine, Dihydrolysergol, Elimoclavin
| Molecular Formula | C16H18N2O |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.1419 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 91106-37-5 |
|---|---|
| SMILES | CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO |
| InChIKey | DAVNRFCJMIONPO-UKRRQHHQSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elymoclavine (CAS 91106-37-5), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.
Chemical Property Profile of Elymoclavine
Property Insights of Elymoclavine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elymoclavine. With a topological polar surface area (TPSA) of 39.3 Ų, Elymoclavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elymoclavine has 2 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 Elymoclavine?
The CAS number of Elymoclavine is 91106-37-5.
What is the molecular formula of Elymoclavine?
The molecular formula of Elymoclavine is C16H18N2O.
What is the molecular weight of Elymoclavine?
The molecular weight of Elymoclavine is 254.14 g/mol.
Where can I buy Elymoclavine?
You can request a quote for Elymoclavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elymoclavine?
Yes, KEHONG BIO provides custom synthesis services for Elymoclavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.