2'-Nitrobiphenyl-4-yl benzoate
TL;DR: 2'-Nitrobiphenyl-4-yl benzoate (CAS 6331-84-6) is a chemical compound with molecular formula C19H13NO4 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-nitrophenyl)phenyl] benzoate
Also Known As: 2'-nitrobiphenyl-4-yl benzoate, [4-(2-nitrophenyl)phenyl] benzoate, 2'-Nitro[1,1'-biphenyl]-4-yl benzoate, [1,1'-Biphenyl]-4-ol,2'-nitro-, 4-benzoate, N-(4,4-diphenylbutan-2-ylideneamino)-2,4-dinitroaniline
| Molecular Formula | C19H13NO4 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.08447 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 6331-84-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | AELFRLXFEWLBAQ-UHFFFAOYSA-N |
Product Overview
2'-Nitrobiphenyl-4-yl benzoate (CAS 6331-84-6), with molecular formula C19H13NO4 and molecular weight 319.08 g/mol. IUPAC: [4-(2-nitrophenyl)phenyl] benzoate.
Chemical Property Profile of 2'-Nitrobiphenyl-4-yl benzoate
Property Insights of 2'-Nitrobiphenyl-4-yl benzoate
The XLogP value of 4.8 indicates that 2'-Nitrobiphenyl-4-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Nitrobiphenyl-4-yl benzoate. Following Lipinski's Rule of Five, 2'-Nitrobiphenyl-4-yl benzoate 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 2'-Nitrobiphenyl-4-yl benzoate?
The CAS number of 2'-Nitrobiphenyl-4-yl benzoate is 6331-84-6.
What is the molecular formula of 2'-Nitrobiphenyl-4-yl benzoate?
The molecular formula of 2'-Nitrobiphenyl-4-yl benzoate is C19H13NO4.
What is the molecular weight of 2'-Nitrobiphenyl-4-yl benzoate?
The molecular weight of 2'-Nitrobiphenyl-4-yl benzoate is 319.08 g/mol.
Where can I buy 2'-Nitrobiphenyl-4-yl benzoate?
You can request a quote for 2'-Nitrobiphenyl-4-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Nitrobiphenyl-4-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Nitrobiphenyl-4-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.