4-nitrobenzyl 4-(1H-indol-3-yl)butanoate
TL;DR: 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate (CAS 860784-02-7) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate
Also Known As: 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate, (4-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate, (4-nitrophenyl)methyl4-(1H-indol-3-yl)butanoate, 11W-0839
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 4.1422 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 883.8353 |
Chemical Identifiers
| CAS Number | 860784-02-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-nitrobenzyl 4-(1H-indol-3-yl)butanoate (CAS 860784-02-7), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: (4-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate.
Chemical Property Profile of 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate
Property Insights of 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate
The XLogP value of 4.1422 indicates that 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate. Following Lipinski's Rule of Five, 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate has 1 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 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate?
The CAS number of 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate is 860784-02-7.
What is the molecular formula of 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate?
The molecular formula of 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate is C19H18N2O4.
What is the molecular weight of 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate?
The molecular weight of 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate is 338.13 g/mol.
Where can I buy 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate?
You can request a quote for 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzyl 4-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.