(3-Nitro-4-phenoxyphenyl)methyl benzoate
TL;DR: (3-Nitro-4-phenoxyphenyl)methyl benzoate (CAS 339279-26-4) is a chemical compound with molecular formula C20H15NO5 and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitro-4-phenoxyphenyl)methyl benzoate
Also Known As: (3-nitro-4-phenoxyphenyl)methyl benzoate, 3-nitro-4-phenoxybenzyl benzenecarboxylate, 4L-613S, (3-nitro-4-phenoxyphenyl)methylbenzoate
| Molecular Formula | C20H15NO5 |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 4.7441 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.09503 |
| Heavy Atoms | 26 |
| Complexity | 909.9994 |
Chemical Identifiers
| CAS Number | 339279-26-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
(3-Nitro-4-phenoxyphenyl)methyl benzoate (CAS 339279-26-4), with molecular formula C20H15NO5 and molecular weight 349.10 g/mol. IUPAC: (3-nitro-4-phenoxyphenyl)methyl benzoate.
Chemical Property Profile of (3-Nitro-4-phenoxyphenyl)methyl benzoate
Property Insights of (3-Nitro-4-phenoxyphenyl)methyl benzoate
The XLogP value of 4.7441 indicates that (3-Nitro-4-phenoxyphenyl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitro-4-phenoxyphenyl)methyl benzoate. Following Lipinski's Rule of Five, (3-Nitro-4-phenoxyphenyl)methyl benzoate has 0 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-Nitro-4-phenoxyphenyl)methyl benzoate?
The CAS number of (3-Nitro-4-phenoxyphenyl)methyl benzoate is 339279-26-4.
What is the molecular formula of (3-Nitro-4-phenoxyphenyl)methyl benzoate?
The molecular formula of (3-Nitro-4-phenoxyphenyl)methyl benzoate is C20H15NO5.
What is the molecular weight of (3-Nitro-4-phenoxyphenyl)methyl benzoate?
The molecular weight of (3-Nitro-4-phenoxyphenyl)methyl benzoate is 349.10 g/mol.
Where can I buy (3-Nitro-4-phenoxyphenyl)methyl benzoate?
You can request a quote for (3-Nitro-4-phenoxyphenyl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitro-4-phenoxyphenyl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitro-4-phenoxyphenyl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.