Indorenate Hydrochloride
TL;DR: Indorenate Hydrochloride (CAS 72318-55-9) is a chemical compound with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-2-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
Also Known As: Indorenate Hydrochloride, Indorenate HCl, indorenate, Diallylmethylamine, Indorenate hydrochloride [USAN]
| Molecular Formula | C13H17ClN2O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 1.81 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.09277 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 72318-55-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2C(CN)C(=O)OC.Cl |
| InChIKey | KLGSBANGKXGRTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indorenate Hydrochloride (CAS 72318-55-9), with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol. IUPAC: methyl 3-amino-2-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride.
Chemical Property Profile of Indorenate Hydrochloride
Property Insights of Indorenate Hydrochloride
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indorenate Hydrochloride. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Indorenate Hydrochloride. Following Lipinski's Rule of Five, Indorenate Hydrochloride has 3 hydrogen bond donor(s) and 4 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 Indorenate Hydrochloride?
The CAS number of Indorenate Hydrochloride is 72318-55-9.
What is the molecular formula of Indorenate Hydrochloride?
The molecular formula of Indorenate Hydrochloride is C13H17ClN2O3.
What is the molecular weight of Indorenate Hydrochloride?
The molecular weight of Indorenate Hydrochloride is 284.09 g/mol.
Where can I buy Indorenate Hydrochloride?
You can request a quote for Indorenate Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indorenate Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Indorenate Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.