9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)
TL;DR: 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) (CAS 80917-59-5) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;oxalic acid
Also Known As: (+-)-1,6-Dimethyl-9-oxaergoline ethanedioate (1:1), 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1), (6aRS,10aRS)-4,6,6a,8,9,10a-Hexahydro-4,7-dimethyl-7H-indolo(3,4-gh)(1,4)benzoxazine oxalate, Oxalic acid--(6aR,10aR)-4,7-dimethyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine (1/1), RefChem:313264
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 1.2617 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 785.61993 |
Chemical Identifiers
| CAS Number | 80917-59-5 |
|---|---|
| SMILES | CN1CCO[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C.C(=O)(C(=O)O)O |
Product Overview
9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) (CAS 80917-59-5), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;oxalic acid.
Chemical Property Profile of 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)
Property Insights of 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)
The XLogP value of 1.2617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1). The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1). Following Lipinski's Rule of Five, 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) has 2 hydrogen bond donor(s) and 4 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 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)?
The CAS number of 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) is 80917-59-5.
What is the molecular formula of 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)?
The molecular formula of 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) is C17H20N2O5.
What is the molecular weight of 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)?
The molecular weight of 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) is 332.14 g/mol.
Where can I buy 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)?
You can request a quote for 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxaergoline, 1,6-dimethyl-, (+-), ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.