3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-
TL;DR: 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)- (CAS 79675-45-9) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]pent-3-en-2-one
Also Known As: 6-Methyl-3-((3-buten-2-one-4-methyl)-4-oxymethyl)ergoline, 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-, 4-(((8-beta)-6-Methylergolin-8-yl)methoxy)-3-penten-2-one, RefChem:1068456
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 3.6373 |
| Topological Polar Surface Area | 45.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 835.5337 |
Chemical Identifiers
| CAS Number | 79675-45-9 |
|---|---|
| SMILES | C/C(=C/C(=O)C)/OC[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
Product Overview
3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)- (CAS 79675-45-9), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: (Z)-4-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]pent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-
Property Insights of 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-
The XLogP value of 3.6373 indicates that 3-Penten-2-one, 4-(((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 45.33 Ų, 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 4-(((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 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
The CAS number of 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)- is 79675-45-9.
What is the molecular formula of 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
The molecular formula of 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)- is C21H26N2O2.
What is the molecular weight of 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
The molecular weight of 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)- is 338.20 g/mol.
Where can I buy 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
You can request a quote for 3-Penten-2-one, 4-(((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 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 4-(((8-beta)-6-methylergolin-8-yl)methoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.