6-Ethyl-9-oxaergoline
TL;DR: 6-Ethyl-9-oxaergoline (CAS 85760-90-3) is a chemical compound with molecular formula C15H18N2O and molecular weight 242.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Also Known As: 6-Ethyl-9-oxaergoline, 6-EOE, 9-Oxaergoline, 6-ethyl-, KST-1A8598, (6ar)-7-ethyl-4,6a,7,8,9,10a-hexahydro-6h-indolo[3,4-gh][1,4]benzoxazine
| Molecular Formula | C15H18N2O |
|---|---|
| Molecular Weight | 242.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.1419 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 85760-90-3 |
|---|---|
| SMILES | CCN1CCOC2[C@H]1CC3=CNC4=CC=CC2=C34 |
| InChIKey | ILMWHLYQRWFIJV-AFYYWNPRSA-N |
Product Overview
6-Ethyl-9-oxaergoline (CAS 85760-90-3), with molecular formula C15H18N2O and molecular weight 242.14 g/mol. IUPAC: (7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
Chemical Property Profile of 6-Ethyl-9-oxaergoline
Property Insights of 6-Ethyl-9-oxaergoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethyl-9-oxaergoline. With a topological polar surface area (TPSA) of 28.3 Ų, 6-Ethyl-9-oxaergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethyl-9-oxaergoline 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 6-Ethyl-9-oxaergoline?
The CAS number of 6-Ethyl-9-oxaergoline is 85760-90-3.
What is the molecular formula of 6-Ethyl-9-oxaergoline?
The molecular formula of 6-Ethyl-9-oxaergoline is C15H18N2O.
What is the molecular weight of 6-Ethyl-9-oxaergoline?
The molecular weight of 6-Ethyl-9-oxaergoline is 242.14 g/mol.
Where can I buy 6-Ethyl-9-oxaergoline?
You can request a quote for 6-Ethyl-9-oxaergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethyl-9-oxaergoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-9-oxaergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.