2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-
TL;DR: 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- (CAS 79675-51-7) is a chemical compound with molecular formula C20H23N3O and molecular weight 321.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]but-2-enenitrile
Also Known As: 6-Methyl-8-((3-methylacrylic nitrile)-3-oxymethyl)ergoline, 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-, 3-(((8-beta)-6-Methylergolin-8-yl)methoxy)-2-butenenitrile, RefChem:1062625
| Molecular Formula | C20H23N3O |
|---|---|
| Molecular Weight | 321.18 g/mol |
| LogP | 3.57188 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.1841 |
| Heavy Atoms | 24 |
| Complexity | 829.0118 |
Chemical Identifiers
| CAS Number | 79675-51-7 |
|---|---|
| SMILES | C/C(=C/C#N)/OC[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
Product Overview
2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- (CAS 79675-51-7), with molecular formula C20H23N3O and molecular weight 321.18 g/mol. IUPAC: (Z)-3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]but-2-enenitrile.
Chemical Property Profile of 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-
Property Insights of 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-
The XLogP value of 3.57188 indicates that 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.05 Ų, 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- has 1 hydrogen bond donor(s) and 3 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 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
The CAS number of 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- is 79675-51-7.
What is the molecular formula of 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
The molecular formula of 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- is C20H23N3O.
What is the molecular weight of 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
The molecular weight of 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- is 321.18 g/mol.
Where can I buy 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
You can request a quote for 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenenitrile, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.