1-Methyllysergic acid butanolamide
TL;DR: 1-Methyllysergic acid butanolamide (CAS 4238-82-8) is a chemical compound with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-(4-hydroxybutyl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Also Known As: 1-Methyllysergic acid butanolamide, 1-methyllysergicacidbutanolamide, 1-Methyl-D-lysergic acid butanolamide, Ergoline-8-carboxamide, 9,10-didehydro-N-(4-hydroxybutyl)-1,6-dimethyl-, (8beta)-, N-(4-Hydroxybutyl)-1,6-dimethyl-9,10-didehydroergoline-8beta-carboxamide
| Molecular Formula | C21H27N3O2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.21033 |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 4238-82-8 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)C)C(=O)NCCCCO |
| InChIKey | DTLDCNXIJXGHKW-DNVCBOLYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyllysergic acid butanolamide (CAS 4238-82-8), with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol. IUPAC: (6aR,9R)-N-(4-hydroxybutyl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of 1-Methyllysergic acid butanolamide
Property Insights of 1-Methyllysergic acid butanolamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyllysergic acid butanolamide. With a topological polar surface area (TPSA) of 57.5 Ų, 1-Methyllysergic acid butanolamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyllysergic acid butanolamide has 2 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-Methyllysergic acid butanolamide?
The CAS number of 1-Methyllysergic acid butanolamide is 4238-82-8.
What is the molecular formula of 1-Methyllysergic acid butanolamide?
The molecular formula of 1-Methyllysergic acid butanolamide is C21H27N3O2.
What is the molecular weight of 1-Methyllysergic acid butanolamide?
The molecular weight of 1-Methyllysergic acid butanolamide is 353.21 g/mol.
Where can I buy 1-Methyllysergic acid butanolamide?
You can request a quote for 1-Methyllysergic acid butanolamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyllysergic acid butanolamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyllysergic acid butanolamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.