1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline
TL;DR: 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline (CAS 113702-03-7) is a chemical compound with molecular formula C27H32BrN3O3 and molecular weight 525.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R,10aS)-4-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate
Also Known As: 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline, Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-, (1-Butyl-10-methoxy-6-methylergolin-8beta-yl)methyl 5-bromopyridine-3-carboxylate, RefChem:339703
| Molecular Formula | C27H32BrN3O3 |
|---|---|
| Molecular Weight | 525.16 g/mol |
| LogP | 5.174 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.1627 |
| Heavy Atoms | 34 |
| Complexity | 1209.0485 |
Chemical Identifiers
| CAS Number | 113702-03-7 |
|---|---|
| SMILES | CCCCN1C=C2C[C@@H]3[C@](C[C@H](CN3C)COC(=O)C4=CC(=CN=C4)Br)(C5=C2C1=CC=C5)OC |
Product Overview
1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline (CAS 113702-03-7), with molecular formula C27H32BrN3O3 and molecular weight 525.16 g/mol. IUPAC: [(6aR,9R,10aS)-4-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline
Property Insights of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline
The XLogP value of 5.174 indicates that 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline?
The CAS number of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline is 113702-03-7.
What is the molecular formula of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline?
The molecular formula of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline is C27H32BrN3O3.
What is the molecular weight of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline?
The molecular weight of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline is 525.16 g/mol.
Where can I buy 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline?
You can request a quote for 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.