3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate
TL;DR: 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate (CAS 291280-02-9) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[3-(2-aminoethyl)-1H-indol-5-yl] 1-O-benzyl benzene-1,2-dicarboxylate
Also Known As: 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate, 3-(2-Aminoethyl)-1H-indol-5-yl benzyl phthalate, 1-[3-(2-aminoethyl)-1H-indol-5-yl] 2-benzyl phthalate, [3-(2-aminoethyl)-1H-indol-5-yl] Benzyl Benzene-1,2-dicarboxylate, 2-O-[3-(2-aminoethyl)-1H-indol-5-yl] 1-O-benzyl benzene-1,2-dicarboxylate
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.2453 |
| Topological Polar Surface Area | 94.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1214.6692 |
Chemical Identifiers
| CAS Number | 291280-02-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OC3=CC4=C(C=C3)NC=C4CCN |
Product Overview
3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate (CAS 291280-02-9), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 2-O-[3-(2-aminoethyl)-1H-indol-5-yl] 1-O-benzyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate
Property Insights of 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate
The XLogP value of 4.2453 indicates that 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate. Following Lipinski's Rule of Five, 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate 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 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate?
The CAS number of 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate is 291280-02-9.
What is the molecular formula of 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate?
The molecular formula of 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate is C25H22N2O4.
What is the molecular weight of 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate?
The molecular weight of 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate is 414.16 g/mol.
Where can I buy 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate?
You can request a quote for 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-aminoethyl)-1H-indol-5-yl benzyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.