Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
TL;DR: Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate (CAS 19616-02-5) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylazanium acetate
Also Known As: 3-(2-Aminoethyl)indol-5-yl ester of isonicotinic acid acetate, ISONICOTINIC ACID, 3-(2-AMINOETHYL)INDOL-5-YL ESTER, MONOACETATE, 2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylazanium acetate, RefChem:1087617
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 19616-02-5 |
|---|---|
| SMILES | CC(=O)[O-].C1=CC2=C(C=C1OC(=O)C3=CC=NC=C3)C(=CN2)CC[NH3+] |
| InChIKey | DLITZRGRIFXSCX-UHFFFAOYSA-N |
Product Overview
Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate (CAS 19616-02-5), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: 2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylazanium acetate.
Chemical Property Profile of Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
Property Insights of Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate. Following Lipinski's Rule of Five, Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate has 2 hydrogen bond donor(s) and 5 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 Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The CAS number of Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is 19616-02-5.
What is the molecular formula of Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The molecular formula of Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is C18H19N3O4.
What is the molecular weight of Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
The molecular weight of Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate is 341.14 g/mol.
Where can I buy Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
You can request a quote for Isonicotinic 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 Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.