Cyano(3-nitrophenyl)methyl benzoate
TL;DR: Cyano(3-nitrophenyl)methyl benzoate (CAS 7252-27-9) is a chemical compound with molecular formula C15H10N2O4 and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-nitrophenyl)methyl] benzoate
Also Known As: cyano(3-nitrophenyl)methyl benzoate, Maybridge1_000146, [cyano-(3-nitrophenyl)methyl] benzoate, MixCom1_000278, Benzeneacetonitrile, a-(benzoyloxy)-3-nitro-
| Molecular Formula | C15H10N2O4 |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.06406 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 7252-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC(C#N)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | QQXSHVPSBDZQCC-UHFFFAOYSA-N |
Product Overview
Cyano(3-nitrophenyl)methyl benzoate (CAS 7252-27-9), with molecular formula C15H10N2O4 and molecular weight 282.06 g/mol. IUPAC: [cyano-(3-nitrophenyl)methyl] benzoate.
Chemical Property Profile of Cyano(3-nitrophenyl)methyl benzoate
Property Insights of Cyano(3-nitrophenyl)methyl benzoate
The XLogP value of 3.1 indicates that Cyano(3-nitrophenyl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyano(3-nitrophenyl)methyl benzoate. Following Lipinski's Rule of Five, Cyano(3-nitrophenyl)methyl benzoate has 0 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 Cyano(3-nitrophenyl)methyl benzoate?
The CAS number of Cyano(3-nitrophenyl)methyl benzoate is 7252-27-9.
What is the molecular formula of Cyano(3-nitrophenyl)methyl benzoate?
The molecular formula of Cyano(3-nitrophenyl)methyl benzoate is C15H10N2O4.
What is the molecular weight of Cyano(3-nitrophenyl)methyl benzoate?
The molecular weight of Cyano(3-nitrophenyl)methyl benzoate is 282.06 g/mol.
Where can I buy Cyano(3-nitrophenyl)methyl benzoate?
You can request a quote for Cyano(3-nitrophenyl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano(3-nitrophenyl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-nitrophenyl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.