(6,8-Dimethylergolin-1-yl)methyl acetate
TL;DR: (6,8-Dimethylergolin-1-yl)methyl acetate (CAS 100181-51-9) is a chemical compound with molecular formula C19H24N2O2 and molecular weight 312.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]methyl acetate
Also Known As: 1-Acetoxymethylfestuclavine, (6,8-Dimethylergolin-1-yl)methyl acetate, (8-beta)-6,8-Dimethylergoline-1-methanol acetate, Ergoline-1-methanol, 6,8-dimethyl-, acetate (ester), (8-beta)-, [(10xi)-6,8beta-Dimethylergolin-1-yl]methyl acetate
| Molecular Formula | C19H24N2O2 |
|---|---|
| Molecular Weight | 312.18 g/mol |
| LogP | 3.1418 |
| Topological Polar Surface Area | 34.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.18378 |
| Heavy Atoms | 23 |
| Complexity | 764.06055 |
Chemical Identifiers
| CAS Number | 100181-51-9 |
|---|---|
| SMILES | C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)COC(=O)C)N(C1)C |
Product Overview
(6,8-Dimethylergolin-1-yl)methyl acetate (CAS 100181-51-9), with molecular formula C19H24N2O2 and molecular weight 312.18 g/mol. IUPAC: [(6aR,9R)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]methyl acetate.
Chemical Property Profile of (6,8-Dimethylergolin-1-yl)methyl acetate
Property Insights of (6,8-Dimethylergolin-1-yl)methyl acetate
The XLogP value of 3.1418 indicates that (6,8-Dimethylergolin-1-yl)methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.47 Ų, (6,8-Dimethylergolin-1-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6,8-Dimethylergolin-1-yl)methyl acetate has 0 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 (6,8-Dimethylergolin-1-yl)methyl acetate?
The CAS number of (6,8-Dimethylergolin-1-yl)methyl acetate is 100181-51-9.
What is the molecular formula of (6,8-Dimethylergolin-1-yl)methyl acetate?
The molecular formula of (6,8-Dimethylergolin-1-yl)methyl acetate is C19H24N2O2.
What is the molecular weight of (6,8-Dimethylergolin-1-yl)methyl acetate?
The molecular weight of (6,8-Dimethylergolin-1-yl)methyl acetate is 312.18 g/mol.
Where can I buy (6,8-Dimethylergolin-1-yl)methyl acetate?
You can request a quote for (6,8-Dimethylergolin-1-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6,8-Dimethylergolin-1-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (6,8-Dimethylergolin-1-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.