5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid
TL;DR: 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid (CAS 95853-92-2) is a chemical compound with molecular formula C20H22Cl2N2O2 and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-chloro-1-methyl-2-pyridin-3-ylindol-3-yl)hexanoic acid;hydrochloride
Also Known As: Cgs 15435A, 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid, 5-chloro-3-(5-carboxypentyl)-1-methyl-2-(3-pyridyl)indole hydrochloride, 1H-Indole-3-hexanoic acid, 5-chloro-1-methyl-2-(3-pyridinyl)-, monohydrochloride, 1H-Indole-3-hexanoicacid, 5-chloro-1-methyl-2-(3-pyridinyl)-, hydrochloride (1:1)
| Molecular Formula | C20H22Cl2N2O2 |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 5.503 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.10583 |
| Heavy Atoms | 26 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 95853-92-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=C1C3=CN=CC=C3)CCCCCC(=O)O.Cl |
| InChIKey | LIQJLEFPDRONRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid (CAS 95853-92-2), with molecular formula C20H22Cl2N2O2 and molecular weight 392.11 g/mol. IUPAC: 6-(5-chloro-1-methyl-2-pyridin-3-ylindol-3-yl)hexanoic acid;hydrochloride.
Chemical Property Profile of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid
Property Insights of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid
The XLogP value of 5.503 indicates that 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid?
The CAS number of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid is 95853-92-2.
What is the molecular formula of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid?
The molecular formula of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid is C20H22Cl2N2O2.
What is the molecular weight of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid?
The molecular weight of 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid is 392.11 g/mol.
Where can I buy 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid?
You can request a quote for 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-methyl-2-(3-pyridyl)-3-indolehexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.