(1-tert-Butyl-6-methylergolin-8-yl)methanol
TL;DR: (1-tert-Butyl-6-methylergolin-8-yl)methanol (CAS 113702-05-9) is a chemical compound with molecular formula C20H28N2O and molecular weight 312.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R)-4-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
Also Known As: 1-(t-Butyl)-6-methyl-8-beta-hydroxymethyl-ergoline, (1-tert-Butyl-6-methylergolin-8-yl)methanol, (8-beta)-1-(1,1-Dimethylethyl)-6-methylergoline-8-methanol, Ergoline-8-methanol, 1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-, [(10xi)-1-tert-Butyl-6-methylergolin-8beta-yl]methanol
| Molecular Formula | C20H28N2O |
|---|---|
| Molecular Weight | 312.22 g/mol |
| LogP | 3.3486 |
| Topological Polar Surface Area | 28.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.22015 |
| Heavy Atoms | 23 |
| Complexity | 739.91504 |
Chemical Identifiers
| CAS Number | 113702-05-9 |
|---|---|
| SMILES | CC(C)(C)N1C=C2C[C@@H]3C(C[C@H](CN3C)CO)C4=C2C1=CC=C4 |
Product Overview
(1-tert-Butyl-6-methylergolin-8-yl)methanol (CAS 113702-05-9), with molecular formula C20H28N2O and molecular weight 312.22 g/mol. IUPAC: [(6aR,9R)-4-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol.
Chemical Property Profile of (1-tert-Butyl-6-methylergolin-8-yl)methanol
Property Insights of (1-tert-Butyl-6-methylergolin-8-yl)methanol
The XLogP value of 3.3486 indicates that (1-tert-Butyl-6-methylergolin-8-yl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.4 Ų, (1-tert-Butyl-6-methylergolin-8-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-tert-Butyl-6-methylergolin-8-yl)methanol has 1 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 (1-tert-Butyl-6-methylergolin-8-yl)methanol?
The CAS number of (1-tert-Butyl-6-methylergolin-8-yl)methanol is 113702-05-9.
What is the molecular formula of (1-tert-Butyl-6-methylergolin-8-yl)methanol?
The molecular formula of (1-tert-Butyl-6-methylergolin-8-yl)methanol is C20H28N2O.
What is the molecular weight of (1-tert-Butyl-6-methylergolin-8-yl)methanol?
The molecular weight of (1-tert-Butyl-6-methylergolin-8-yl)methanol is 312.22 g/mol.
Where can I buy (1-tert-Butyl-6-methylergolin-8-yl)methanol?
You can request a quote for (1-tert-Butyl-6-methylergolin-8-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-tert-Butyl-6-methylergolin-8-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (1-tert-Butyl-6-methylergolin-8-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.