(4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate
TL;DR: (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate (CAS 40599-86-8) is a chemical compound with molecular formula C21H17NO6S and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-(2-phenylethoxysulfinyl)benzoate
Also Known As: (4-nitrophenyl) 2-phenethyloxysulfinylbenzoate, (4-nitrophenyl) 2-(2-phenylethoxysulfinyl)benzoate, 4-nitrophenyl 2-[(2-phenylethoxy)sulfinyl]benzoate
| Molecular Formula | C21H17NO6S |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.07767 |
| Heavy Atoms | 29 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 40599-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOS(=O)C2=CC=CC=C2C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | OUPVBQMFMJYNON-UHFFFAOYSA-N |
Product Overview
(4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate (CAS 40599-86-8), with molecular formula C21H17NO6S and molecular weight 411.08 g/mol. IUPAC: (4-nitrophenyl) 2-(2-phenylethoxysulfinyl)benzoate.
Chemical Property Profile of (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate
Property Insights of (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate
The XLogP value of 4.6 indicates that (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate. Following Lipinski's Rule of Five, (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate has 0 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 (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate?
The CAS number of (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate is 40599-86-8.
What is the molecular formula of (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate?
The molecular formula of (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate is C21H17NO6S.
What is the molecular weight of (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate?
The molecular weight of (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate is 411.08 g/mol.
Where can I buy (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate?
You can request a quote for (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl) 2-phenethyloxysulfinylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.