(4-Nitrophenyl)methyl hydroxy(phenyl)acetate
TL;DR: (4-Nitrophenyl)methyl hydroxy(phenyl)acetate (CAS 4457-24-3) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-hydroxy-2-phenylacetate
Also Known As: (4-Nitrophenyl)methyl hydroxy(phenyl)acetate, 2-Phenylglycolic acid 4-nitrobenzyl ester, (4-nitrophenyl)methyl 2-hydroxy-2-phenylacetate
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 4457-24-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O |
| InChIKey | ORHJGISFXCUNJY-UHFFFAOYSA-N |
Product Overview
(4-Nitrophenyl)methyl hydroxy(phenyl)acetate (CAS 4457-24-3), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: (4-nitrophenyl)methyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of (4-Nitrophenyl)methyl hydroxy(phenyl)acetate
Property Insights of (4-Nitrophenyl)methyl hydroxy(phenyl)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)methyl hydroxy(phenyl)acetate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methyl hydroxy(phenyl)acetate. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl hydroxy(phenyl)acetate has 1 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 (4-Nitrophenyl)methyl hydroxy(phenyl)acetate?
The CAS number of (4-Nitrophenyl)methyl hydroxy(phenyl)acetate is 4457-24-3.
What is the molecular formula of (4-Nitrophenyl)methyl hydroxy(phenyl)acetate?
The molecular formula of (4-Nitrophenyl)methyl hydroxy(phenyl)acetate is C15H13NO5.
What is the molecular weight of (4-Nitrophenyl)methyl hydroxy(phenyl)acetate?
The molecular weight of (4-Nitrophenyl)methyl hydroxy(phenyl)acetate is 287.08 g/mol.
Where can I buy (4-Nitrophenyl)methyl hydroxy(phenyl)acetate?
You can request a quote for (4-Nitrophenyl)methyl hydroxy(phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl hydroxy(phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl hydroxy(phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.