(8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)
TL;DR: (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) (CAS 71014-48-7) is a chemical compound with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aR,9S)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile;(E)-but-2-enedioic acid
Also Known As: D-6-Allyl-8-cyanomethylergoline-I maleate, (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1), Ergoline-8-acetonitrile, 6-(2-propenyl)-, (8-beta)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C23H25N3O4 |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 3.30958 |
| Topological Polar Surface Area | 117.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1845 |
| Heavy Atoms | 30 |
| Complexity | 1001.115 |
Chemical Identifiers
| CAS Number | 71014-48-7 |
|---|---|
| SMILES | C=CCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC#N.C(=C/C(=O)O)\C(=O)O |
Product Overview
(8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) (CAS 71014-48-7), with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol. IUPAC: 2-[(6aR,9S)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile;(E)-but-2-enedioic acid.
Chemical Property Profile of (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)
Property Insights of (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)
The XLogP value of 3.30958 indicates that (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) has 3 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 (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)?
The CAS number of (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) is 71014-48-7.
What is the molecular formula of (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)?
The molecular formula of (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) is C23H25N3O4.
What is the molecular weight of (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)?
The molecular weight of (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) is 407.18 g/mol.
Where can I buy (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)?
You can request a quote for (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for (8-beta)-6-(2-Propenyl)ergoline-8-acetonitrile (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.