Indocate
TL;DR: Indocate (CAS 31386-25-1) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate
Also Known As: Indocate, Indocatum, Indocato, Indocarb, Indocate [INN]
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 31386-25-1 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCN(C)C)CC3=CC=CC=C3)C |
| InChIKey | YKWQHMLRAPIWDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indocate (CAS 31386-25-1), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate.
Chemical Property Profile of Indocate
Property Insights of Indocate
The XLogP value of 4.3 indicates that Indocate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Indocate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indocate has 0 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 Indocate?
The CAS number of Indocate is 31386-25-1.
What is the molecular formula of Indocate?
The molecular formula of Indocate is C22H26N2O2.
What is the molecular weight of Indocate?
The molecular weight of Indocate is 350.20 g/mol.
Where can I buy Indocate?
You can request a quote for Indocate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indocate?
Yes, KEHONG BIO provides custom synthesis services for Indocate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.