Hippuric acid m-nitrophenyl ester
TL;DR: Hippuric acid m-nitrophenyl ester (CAS 2979-53-5) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) 2-benzamidoacetate
Also Known As: Hippuric acid m-nitrophenyl ester, 3-Nitrophenyl N-benzoylglycinate, (3-nitrophenyl) 2-benzamidoacetate, N-Benzoylglycine 3-nitrophenyl ester, 3-Nitrophenyl (benzoylamino)acetate #
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 2979-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | GEMBROQDCICMBH-UHFFFAOYSA-N |
Product Overview
Hippuric acid m-nitrophenyl ester (CAS 2979-53-5), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: (3-nitrophenyl) 2-benzamidoacetate.
Chemical Property Profile of Hippuric acid m-nitrophenyl ester
Property Insights of Hippuric acid m-nitrophenyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hippuric acid m-nitrophenyl ester. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hippuric acid m-nitrophenyl ester. Following Lipinski's Rule of Five, Hippuric acid m-nitrophenyl ester 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 Hippuric acid m-nitrophenyl ester?
The CAS number of Hippuric acid m-nitrophenyl ester is 2979-53-5.
What is the molecular formula of Hippuric acid m-nitrophenyl ester?
The molecular formula of Hippuric acid m-nitrophenyl ester is C15H12N2O5.
What is the molecular weight of Hippuric acid m-nitrophenyl ester?
The molecular weight of Hippuric acid m-nitrophenyl ester is 300.07 g/mol.
Where can I buy Hippuric acid m-nitrophenyl ester?
You can request a quote for Hippuric acid m-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hippuric acid m-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hippuric acid m-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.