Lergo; Lergotril
TL;DR: Lergo; Lergotril (CAS 36945-03-6) is a chemical compound with molecular formula C17H18ClN3 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile
Also Known As: Lergotrile, Lergo; Lergotril, Lergotrile [USAN:INN], Lergotrilum [INN-Latin], Lergotrilo [INN-Spanish]
| Molecular Formula | C17H18ClN3 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.11893 |
| Heavy Atoms | 21 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 36945-03-6 |
|---|---|
| SMILES | CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Cl)CC#N |
| InChIKey | JKAHWGPTNVUTNB-UHFFFAOYSA-N |
Product Overview
Lergo; Lergotril (CAS 36945-03-6), with molecular formula C17H18ClN3 and molecular weight 299.12 g/mol. IUPAC: 2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile.
Chemical Property Profile of Lergo; Lergotril
Property Insights of Lergo; Lergotril
The XLogP value of 3.3 indicates that Lergo; Lergotril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.8 Ų, Lergo; Lergotril exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lergo; Lergotril 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 Lergo; Lergotril?
The CAS number of Lergo; Lergotril is 36945-03-6.
What is the molecular formula of Lergo; Lergotril?
The molecular formula of Lergo; Lergotril is C17H18ClN3.
What is the molecular weight of Lergo; Lergotril?
The molecular weight of Lergo; Lergotril is 299.12 g/mol.
Where can I buy Lergo; Lergotril?
You can request a quote for Lergo; Lergotril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lergo; Lergotril?
Yes, KEHONG BIO provides custom synthesis services for Lergo; Lergotril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.