1-Isopropyldihydrolysergic acid
TL;DR: 1-Isopropyldihydrolysergic acid (CAS 41710-27-4) is a chemical compound with molecular formula C19H24N2O2 and molecular weight 312.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
Also Known As: Ipr-dhla, 1-Isopropyldihydrolysergic acid, 1-isopropyldihydrolysergicacid, 1-Isopropyl-6-methylergoline-8beta-carboxylic acid, 6-Methyl-1-(propan-2-yl)ergoline-8-carboxylic acid
| Molecular Formula | C19H24N2O2 |
|---|---|
| Molecular Weight | 312.18 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.18378 |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 41710-27-4 |
|---|---|
| SMILES | CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)O)C4=C2C1=CC=C4 |
| InChIKey | NAGMITMLYCSORO-FRFSOERESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isopropyldihydrolysergic acid (CAS 41710-27-4), with molecular formula C19H24N2O2 and molecular weight 312.18 g/mol. IUPAC: (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid.
Chemical Property Profile of 1-Isopropyldihydrolysergic acid
Property Insights of 1-Isopropyldihydrolysergic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isopropyldihydrolysergic acid. With a topological polar surface area (TPSA) of 45.5 Ų, 1-Isopropyldihydrolysergic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyldihydrolysergic acid 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-Isopropyldihydrolysergic acid?
The CAS number of 1-Isopropyldihydrolysergic acid is 41710-27-4.
What is the molecular formula of 1-Isopropyldihydrolysergic acid?
The molecular formula of 1-Isopropyldihydrolysergic acid is C19H24N2O2.
What is the molecular weight of 1-Isopropyldihydrolysergic acid?
The molecular weight of 1-Isopropyldihydrolysergic acid is 312.18 g/mol.
Where can I buy 1-Isopropyldihydrolysergic acid?
You can request a quote for 1-Isopropyldihydrolysergic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropyldihydrolysergic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyldihydrolysergic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.