ethyl 2-(5-amino-1H-indol-3-yl)acetate
TL;DR: ethyl 2-(5-amino-1H-indol-3-yl)acetate (CAS 87540-94-1) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-amino-1H-indol-3-yl)acetate
Also Known As: NCIOpen2_002975, ethyl 2-(5-amino-1H-indol-3-yl)acetate, ethyl(5-amino-1h-indol-3-yl)acetate, ethyl (5-amino-1H-indol-3-yl)acetate, (5-amino-indol-3-yl)-acetic acid ethyl ester
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 87540-94-1 |
|---|---|
| SMILES | CCOC(=O)CC1=CNC2=C1C=C(C=C2)N |
| InChIKey | BXMXWGQSLJGYTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 2-(5-amino-1H-indol-3-yl)acetate (CAS 87540-94-1), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: ethyl 2-(5-amino-1H-indol-3-yl)acetate.
Chemical Property Profile of ethyl 2-(5-amino-1H-indol-3-yl)acetate
Property Insights of ethyl 2-(5-amino-1H-indol-3-yl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(5-amino-1H-indol-3-yl)acetate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-amino-1H-indol-3-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(5-amino-1H-indol-3-yl)acetate has 2 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 ethyl 2-(5-amino-1H-indol-3-yl)acetate?
The CAS number of ethyl 2-(5-amino-1H-indol-3-yl)acetate is 87540-94-1.
What is the molecular formula of ethyl 2-(5-amino-1H-indol-3-yl)acetate?
The molecular formula of ethyl 2-(5-amino-1H-indol-3-yl)acetate is C12H14N2O2.
What is the molecular weight of ethyl 2-(5-amino-1H-indol-3-yl)acetate?
The molecular weight of ethyl 2-(5-amino-1H-indol-3-yl)acetate is 218.11 g/mol.
Where can I buy ethyl 2-(5-amino-1H-indol-3-yl)acetate?
You can request a quote for ethyl 2-(5-amino-1H-indol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(5-amino-1H-indol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-amino-1H-indol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.