2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile
TL;DR: 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile (CAS 6475-79-2) is a chemical compound with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: 5-Methyl-2-indanon, 2-benzoyl-3-(3-nitrophenyl)prop-2-enenitrile, 1,4-Benzodioxan-2-carbamicacid, isopropyl ester (7CI,8CI)
| Molecular Formula | C16H10N2O3 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.06915 |
| Heavy Atoms | 21 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 6475-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N |
| InChIKey | SQILKTKOZNNYMR-UHFFFAOYSA-N |
Product Overview
2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile (CAS 6475-79-2), with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol. IUPAC: 2-benzoyl-3-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile
Property Insights of 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile
The XLogP value of 3.4 indicates that 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile 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-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile?
The CAS number of 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile is 6475-79-2.
What is the molecular formula of 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular formula of 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile is C16H10N2O3.
What is the molecular weight of 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular weight of 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile is 278.07 g/mol.
Where can I buy 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile?
You can request a quote for 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-3-(3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.