Delergotrile
TL;DR: Delergotrile (CAS 59091-65-5) is a chemical compound with molecular formula C17H19N3 and molecular weight 265.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
Also Known As: Delergotrile, 6605 VUFB
| Molecular Formula | C17H19N3 |
|---|---|
| Molecular Weight | 265.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.1579 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 59091-65-5 |
|---|---|
| SMILES | CN1C[C@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC#N |
| InChIKey | LBMFWYCMCHRLBU-ZIHDAQAOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Delergotrile (CAS 59091-65-5), with molecular formula C17H19N3 and molecular weight 265.16 g/mol. IUPAC: 2-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile.
Chemical Property Profile of Delergotrile
Property Insights of Delergotrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Delergotrile. With a topological polar surface area (TPSA) of 42.8 Ų, Delergotrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Delergotrile has 1 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 Delergotrile?
The CAS number of Delergotrile is 59091-65-5.
What is the molecular formula of Delergotrile?
The molecular formula of Delergotrile is C17H19N3.
What is the molecular weight of Delergotrile?
The molecular weight of Delergotrile is 265.16 g/mol.
Where can I buy Delergotrile?
You can request a quote for Delergotrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delergotrile?
Yes, KEHONG BIO provides custom synthesis services for Delergotrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.