吲哚瑞酯
TL;DR: 吲哚瑞酯 (CAS 73758-06-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚瑞酯
methyl 3-amino-2-(5-methoxy-1H-indol-3-yl)propanoate
Also Known As: indorenate, Indorenato, Indorenatum, Indorenate [INN], Indorenatum [INN-Latin]
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 73758-06-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2C(CN)C(=O)OC |
| InChIKey | YFEDJMLMWJSRJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚瑞酯 (CAS 73758-06-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: methyl 3-amino-2-(5-methoxy-1H-indol-3-yl)propanoate.
Chemical Property Profile of 吲哚瑞酯
Property Insights of 吲哚瑞酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚瑞酯. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 吲哚瑞酯. Following Lipinski's Rule of Five, 吲哚瑞酯 has 2 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 吲哚瑞酯?
The CAS number of 吲哚瑞酯 is 73758-06-2.
What is the molecular formula of 吲哚瑞酯?
The molecular formula of 吲哚瑞酯 is C13H16N2O3.
What is the molecular weight of 吲哚瑞酯?
The molecular weight of 吲哚瑞酯 is 248.12 g/mol.
Where can I buy 吲哚瑞酯?
You can request a quote for 吲哚瑞酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚瑞酯?
Yes, KEHONG BIO provides custom synthesis services for 吲哚瑞酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.