Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate
TL;DR: Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate (CAS 18518-64-4) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-benzoyloxy-1H-indol-3-yl)ethylazanium acetate
Also Known As: 3-(2-Aminoethyl)indol-5-ol benzoate monoacetate, INDOL-5-OL, 3-(2-AMINOETHYL)-, BENZOATE (ester), MONOACETATE, 2-[5-(Benzoyloxy)-1H-indol-3-yl]ethylazanium acetate, 2-(5-benzoyloxy-1H-indol-3-yl)ethylazanium acetate, 2-[5-(Benzoyloxy)-1H-indol-3-yl]ethan-1-aminium acetate
| Molecular Formula | C19H20N2O4 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 0.93 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.1423 |
| Heavy Atoms | 25 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 18518-64-4 |
|---|---|
| SMILES | CC(=O)[O-].C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)NC=C3CC[NH3+] |
| InChIKey | IIYMAGWQTKMPCY-UHFFFAOYSA-N |
Product Overview
Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate (CAS 18518-64-4), with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol. IUPAC: 2-(5-benzoyloxy-1H-indol-3-yl)ethylazanium acetate.
Chemical Property Profile of Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate
Property Insights of Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate
The XLogP value of 0.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate. Following Lipinski's Rule of Five, Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate 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 Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate?
The CAS number of Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate is 18518-64-4.
What is the molecular formula of Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate?
The molecular formula of Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate is C19H20N2O4.
What is the molecular weight of Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate?
The molecular weight of Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate is 340.14 g/mol.
Where can I buy Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate?
You can request a quote for Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.