Elymoclavin
TL;DR: Elymoclavin (CAS 548-43-6) 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.
(7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol
Also Known As: Elymoclavin, ELYMOCLAVINE, Elimoclavin, Ergoline-8-methanol, 8,9-didehydro-6-methyl-, 8,9-Didehydro-6-methylergoline-8-methanol
| 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 | 548-43-6 |
|---|---|
| SMILES | CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
| InChIKey | DAVNRFCJMIONPO-UHFFFAOYSA-N |
Product Overview
Elymoclavin (CAS 548-43-6), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: (7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol.
Chemical Property Profile of Elymoclavin
Property Insights of Elymoclavin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elymoclavin. With a topological polar surface area (TPSA) of 39.3 Ų, Elymoclavin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elymoclavin 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 Elymoclavin?
The CAS number of Elymoclavin is 548-43-6.
What is the molecular formula of Elymoclavin?
The molecular formula of Elymoclavin is C16H18N2O.
What is the molecular weight of Elymoclavin?
The molecular weight of Elymoclavin is 254.14 g/mol.
Where can I buy Elymoclavin?
You can request a quote for Elymoclavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elymoclavin?
Yes, KEHONG BIO provides custom synthesis services for Elymoclavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.