4-Nitrophenyl 4-aminobenzoate
TL;DR: 4-Nitrophenyl 4-aminobenzoate (CAS 31366-38-8) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-aminobenzoate
Also Known As: 4-nitrophenyl 4-aminobenzoate, (4-nitrophenyl) 4-aminobenzoate
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 31366-38-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N |
| InChIKey | IDQAOTGARKTEOL-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl 4-aminobenzoate (CAS 31366-38-8), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: (4-nitrophenyl) 4-aminobenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-aminobenzoate
Property Insights of 4-Nitrophenyl 4-aminobenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 4-aminobenzoate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-aminobenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-aminobenzoate 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 4-aminobenzoate?
The CAS number of 4-Nitrophenyl 4-aminobenzoate is 31366-38-8.
What is the molecular formula of 4-Nitrophenyl 4-aminobenzoate?
The molecular formula of 4-Nitrophenyl 4-aminobenzoate is C13H10N2O4.
What is the molecular weight of 4-Nitrophenyl 4-aminobenzoate?
The molecular weight of 4-Nitrophenyl 4-aminobenzoate is 258.06 g/mol.
Where can I buy 4-Nitrophenyl 4-aminobenzoate?
You can request a quote for 4-Nitrophenyl 4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.