Phenyl 3-nitrobenzoate
TL;DR: Phenyl 3-nitrobenzoate (CAS 1906-43-0) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-nitrobenzoate
Also Known As: phenyl 3-nitrobenzoate, Benzoic acid, 3-nitro-, phenyl ester, 3-Nitrobenzoic acid phenyl ester, RefChem:369646
| Molecular Formula | C13H9NO4 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.814 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05316 |
| Heavy Atoms | 18 |
| Complexity | 580.55493 |
Chemical Identifiers
| CAS Number | 1906-43-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Phenyl 3-nitrobenzoate (CAS 1906-43-0), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: phenyl 3-nitrobenzoate.
Chemical Property Profile of Phenyl 3-nitrobenzoate
Property Insights of Phenyl 3-nitrobenzoate
The XLogP value of 2.814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3-nitrobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, Phenyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 Phenyl 3-nitrobenzoate?
The CAS number of Phenyl 3-nitrobenzoate is 1906-43-0.
What is the molecular formula of Phenyl 3-nitrobenzoate?
The molecular formula of Phenyl 3-nitrobenzoate is C13H9NO4.
What is the molecular weight of Phenyl 3-nitrobenzoate?
The molecular weight of Phenyl 3-nitrobenzoate is 243.05 g/mol.
Where can I buy Phenyl 3-nitrobenzoate?
You can request a quote for Phenyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.