(1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol
TL;DR: (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol (CAS 113702-02-6) is a chemical compound with molecular formula C21H30N2O2 and molecular weight 342.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol
Also Known As: 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-hydroxymethylergoline, (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol, (8-beta)-1-(1,1-Dimethylethyl)-10-methoxy-6-methylergoline-8-methanol, Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, (8-beta)-, [(10xi)-1-tert-Butyl-10-methoxy-6-methylergolin-8beta-yl]methanol
| Molecular Formula | C21H30N2O2 |
|---|---|
| Molecular Weight | 342.23 g/mol |
| LogP | 3.1067 |
| Topological Polar Surface Area | 37.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.23074 |
| Heavy Atoms | 25 |
| Complexity | 804.06433 |
Chemical Identifiers
| CAS Number | 113702-02-6 |
|---|---|
| SMILES | CC(C)(C)N1C=C2C[C@@H]3C(C[C@H](CN3C)CO)(C4=C2C1=CC=C4)OC |
Product Overview
(1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol (CAS 113702-02-6), with molecular formula C21H30N2O2 and molecular weight 342.23 g/mol. IUPAC: [(6aR,9R)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol.
Chemical Property Profile of (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol
Property Insights of (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol
The XLogP value of 3.1067 indicates that (1-tert-Butyl-10-methoxy-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 37.63 Ų, (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol 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 (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol?
The CAS number of (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol is 113702-02-6.
What is the molecular formula of (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol?
The molecular formula of (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol is C21H30N2O2.
What is the molecular weight of (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol?
The molecular weight of (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol is 342.23 g/mol.
Where can I buy (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol?
You can request a quote for (1-tert-Butyl-10-methoxy-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-10-methoxy-6-methylergolin-8-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.