Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
TL;DR: Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate (CAS 19615-96-4) is a chemical compound with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-butanoyloxy-1H-indol-3-yl)ethylazanium acetate
Also Known As: 3-(2-Aminoethyl)indol-5-yl ester of butyric acid acetate, BUTYRIC ACID, 3-(2-AMINOETHYL)INDOL-5-YL ESTER, MONOACETATE, 2-(5-butanoyloxy-1H-indol-3-yl)ethylazanium acetate, 2-[5-(Butanoyloxy)-1H-indol-3-yl]ethan-1-aminium acetate, RefChem:331278
| Molecular Formula | C16H22N2O4 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 0.41 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.15796 |
| Heavy Atoms | 22 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 19615-96-4 |
|---|---|
| SMILES | CCCC(=O)OC1=CC2=C(C=C1)NC=C2CC[NH3+].CC(=O)[O-] |
| InChIKey | QLHYZWMWQLFQBU-UHFFFAOYSA-N |
Product Overview
Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate (CAS 19615-96-4), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: 2-(5-butanoyloxy-1H-indol-3-yl)ethylazanium acetate.
Chemical Property Profile of Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
Property Insights of Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric 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 Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate. Following Lipinski's Rule of Five, Butyric 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 Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The CAS number of Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is 19615-96-4.
What is the molecular formula of Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The molecular formula of Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is C16H22N2O4.
What is the molecular weight of Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The molecular weight of Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is 306.16 g/mol.
Where can I buy Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
You can request a quote for Butyric 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 Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.