2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate
TL;DR: 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate (CAS 5917-06-6) is a chemical compound with molecular formula C26H21N3O7 and molecular weight 487.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(phenoxycarbonylamino)propanoate
Also Known As: 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate, BIM-0021621.P001, [2-(3-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(phenoxycarbonylamino)propanoate
| Molecular Formula | C26H21N3O7 |
|---|---|
| Molecular Weight | 487.14 g/mol |
| LogP | 4.2019 |
| Topological Polar Surface Area | 140.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.13794 |
| Heavy Atoms | 36 |
| Complexity | 1415.3523 |
Chemical Identifiers
| CAS Number | 5917-06-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate (CAS 5917-06-6), with molecular formula C26H21N3O7 and molecular weight 487.14 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(phenoxycarbonylamino)propanoate.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate
Property Insights of 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate
The XLogP value of 4.2019 indicates that 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.63 Ų indicates high polarity, suggesting 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate has 2 hydrogen bond donor(s) and 7 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 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate?
The CAS number of 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate is 5917-06-6.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate is C26H21N3O7.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate is 487.14 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.