Gedocarnil
TL;DR: Gedocarnil (CAS 109623-97-4) is a chemical compound with molecular formula C23H21ClN2O4 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(4-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: Gedocarnil, Gedocarnilo, Gedocarnil [INN], gedocarnilum, Gedocarnil (INN)
| Molecular Formula | C23H21ClN2O4 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.119 |
| Heavy Atoms | 30 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 109623-97-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC=C3OC4=CC=C(C=C4)Cl |
| InChIKey | SLYDYLLJUXFULK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gedocarnil (CAS 109623-97-4), with molecular formula C23H21ClN2O4 and molecular weight 424.12 g/mol. IUPAC: propan-2-yl 5-(4-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of Gedocarnil
Property Insights of Gedocarnil
The XLogP value of 5.1 indicates that Gedocarnil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Gedocarnil. Following Lipinski's Rule of Five, Gedocarnil has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gedocarnil?
The CAS number of Gedocarnil is 109623-97-4.
What is the molecular formula of Gedocarnil?
The molecular formula of Gedocarnil is C23H21ClN2O4.
What is the molecular weight of Gedocarnil?
The molecular weight of Gedocarnil is 424.12 g/mol.
Where can I buy Gedocarnil?
You can request a quote for Gedocarnil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gedocarnil?
Yes, KEHONG BIO provides custom synthesis services for Gedocarnil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.