N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid
TL;DR: N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid (CAS 5793-04-4) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-(1-hydroxypropan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Propisergide, N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid, N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8beta-carboximidic acid
| Molecular Formula | C20H25N3O2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 1.545 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.19467 |
| Heavy Atoms | 25 |
| Complexity | 867.1936 |
Chemical Identifiers
| CAS Number | 5793-04-4 |
|---|---|
| SMILES | CC(CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C |
Product Overview
N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid (CAS 5793-04-4), with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol. IUPAC: (6aR,9R)-N-(1-hydroxypropan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid
Property Insights of N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid
The XLogP value of 1.545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid. With a topological polar surface area (TPSA) of 57.5 Ų, N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid 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 N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid?
The CAS number of N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid is 5793-04-4.
What is the molecular formula of N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid?
The molecular formula of N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid is C20H25N3O2.
What is the molecular weight of N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid?
The molecular weight of N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid is 339.19 g/mol.
Where can I buy N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid?
You can request a quote for N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Hydroxypropan-2-yl)-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.