Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)
TL;DR: Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) (CAS 19716-83-7) is a chemical compound with molecular formula C18H26N2O4 and molecular weight 334.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1H-indol-5-yloxy)-2-oxoethyl]hexylazanium acetate
Also Known As: 3-(2-Aminoethyl)indol-5-yl ester of hexanoic acid acetate, 3-[2-(1H-indol-5-yloxy)-2-oxoethyl]hexylazanium acetate, HEXANOIC ACID, 3-(2-AMINOETHYL)INDOL-5-YL ESTER, MONOACETATE, Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1), RefChem:1075851
| Molecular Formula | C18H26N2O4 |
|---|---|
| Molecular Weight | 334.19 g/mol |
| LogP | 1.27 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 334.18927 |
| Heavy Atoms | 24 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 19716-83-7 |
|---|---|
| SMILES | CCCC(CC[NH3+])CC(=O)OC1=CC2=C(C=C1)NC=C2.CC(=O)[O-] |
| InChIKey | RGPONSTXZJSEGK-UHFFFAOYSA-N |
Product Overview
Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) (CAS 19716-83-7), with molecular formula C18H26N2O4 and molecular weight 334.19 g/mol. IUPAC: 3-[2-(1H-indol-5-yloxy)-2-oxoethyl]hexylazanium acetate.
Chemical Property Profile of Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)
Property Insights of Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)
The XLogP value of 1.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1). The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1). Following Lipinski's Rule of Five, Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) 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 Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)?
The CAS number of Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) is 19716-83-7.
What is the molecular formula of Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)?
The molecular formula of Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) is C18H26N2O4.
What is the molecular weight of Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)?
The molecular weight of Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) is 334.19 g/mol.
Where can I buy Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)?
You can request a quote for Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid--1H-indol-5-yl 3-(2-aminoethyl)hexanoate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.