1-Methyllysergic acid pyrrolidide
TL;DR: 1-Methyllysergic acid pyrrolidide (CAS 7221-79-6) is a chemical compound with molecular formula C21H25N3O and molecular weight 335.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
Also Known As: 1-Methyllysergic acid pyrrolidide, D-1-Methyl lysergic acid pyrrolidide, 4-25-00-00970 (Beilstein Handbook Reference), Ergoline-8-beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-, pyrrolidide, 1-(1,6-dimethyl-9,10-didehydro-ergoline-8-carbonyl)-pyrrolidine
| Molecular Formula | C21H25N3O |
|---|---|
| Molecular Weight | 335.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.19977 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 7221-79-6 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)C)C(=O)N5CCCC5 |
| InChIKey | PWISINPCTJKXCA-DNVCBOLYSA-N |
Product Overview
1-Methyllysergic acid pyrrolidide (CAS 7221-79-6), with molecular formula C21H25N3O and molecular weight 335.20 g/mol. IUPAC: [(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 1-Methyllysergic acid pyrrolidide
Property Insights of 1-Methyllysergic acid pyrrolidide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyllysergic acid pyrrolidide. With a topological polar surface area (TPSA) of 28.5 Ų, 1-Methyllysergic acid pyrrolidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyllysergic acid pyrrolidide has 0 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-Methyllysergic acid pyrrolidide?
The CAS number of 1-Methyllysergic acid pyrrolidide is 7221-79-6.
What is the molecular formula of 1-Methyllysergic acid pyrrolidide?
The molecular formula of 1-Methyllysergic acid pyrrolidide is C21H25N3O.
What is the molecular weight of 1-Methyllysergic acid pyrrolidide?
The molecular weight of 1-Methyllysergic acid pyrrolidide is 335.20 g/mol.
Where can I buy 1-Methyllysergic acid pyrrolidide?
You can request a quote for 1-Methyllysergic acid pyrrolidide 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 pyrrolidide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyllysergic acid pyrrolidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.