N-propyl-9-oxaergoline
TL;DR: N-propyl-9-oxaergoline (CAS 91560-85-9) is a chemical compound with molecular formula C16H21ClN2O and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R)-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;hydrochloride
Also Known As: N-Propyl-9-oxaergoline, Dodecanenitrile,3-methyl, KST-1A8880, 9-Oxaergoline, 6-propyl-, monohydrochloride, RU 29717
| Molecular Formula | C16H21ClN2O |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 3.2977 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.13425 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 91560-85-9 |
|---|---|
| SMILES | CCCN1CCOC2[C@H]1CC3=CNC4=CC=CC2=C34.Cl |
| InChIKey | PNOZBKNRNVWLEB-VHCCSVTPSA-N |
Product Overview
N-propyl-9-oxaergoline (CAS 91560-85-9), with molecular formula C16H21ClN2O and molecular weight 292.13 g/mol. IUPAC: (7R)-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;hydrochloride.
Chemical Property Profile of N-propyl-9-oxaergoline
Property Insights of N-propyl-9-oxaergoline
The XLogP value of 3.2977 indicates that N-propyl-9-oxaergoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.3 Ų, N-propyl-9-oxaergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-propyl-9-oxaergoline 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 N-propyl-9-oxaergoline?
The CAS number of N-propyl-9-oxaergoline is 91560-85-9.
What is the molecular formula of N-propyl-9-oxaergoline?
The molecular formula of N-propyl-9-oxaergoline is C16H21ClN2O.
What is the molecular weight of N-propyl-9-oxaergoline?
The molecular weight of N-propyl-9-oxaergoline is 292.13 g/mol.
Where can I buy N-propyl-9-oxaergoline?
You can request a quote for N-propyl-9-oxaergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-propyl-9-oxaergoline?
Yes, KEHONG BIO provides custom synthesis services for N-propyl-9-oxaergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.