Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
TL;DR: Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate (CAS 19716-84-8) is a chemical compound with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-heptanoyloxy-1H-indol-3-yl)ethylazanium acetate
Also Known As: 3-(2-Aminoethyl)indol-5-yl ester of heptanoic acid acetate, HEPTANOIC ACID, 3-(2-AMINOETHYL)INDOL-5-YL ESTER, MONOACETATE, 2-(5-heptanoyloxy-1H-indol-3-yl)ethylazanium acetate, 2-[5-(Heptanoyloxy)-1H-indol-3-yl]ethan-1-aminium acetate, RefChem:347260
| Molecular Formula | C19H28N2O4 |
|---|---|
| Molecular Weight | 348.20 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.2049 |
| Heavy Atoms | 25 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 19716-84-8 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC2=C(C=C1)NC=C2CC[NH3+].CC(=O)[O-] |
| InChIKey | NUHALFUVDYUUKA-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate (CAS 19716-84-8), with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol. IUPAC: 2-(5-heptanoyloxy-1H-indol-3-yl)ethylazanium acetate.
Chemical Property Profile of Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
Property Insights of Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate. Following Lipinski's Rule of Five, Heptanoic acid, 3-(2-aminoethyl)indol-5-yl 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 Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The CAS number of Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is 19716-84-8.
What is the molecular formula of Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The molecular formula of Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is C19H28N2O4.
What is the molecular weight of Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The molecular weight of Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is 348.20 g/mol.
Where can I buy Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
You can request a quote for Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.