(3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone
TL;DR: (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone (CAS 400076-05-3) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-5-nitro-1-benzofuran-2-yl)-phenylmethanone
Also Known As: 2-benzoyl-3-methyl-5-nitro-1-benzofuran, (3-methyl-5-nitro-1-benzofuran-2-yl)(phenyl)methanone, (3-methyl-5-nitro-1-benzofuran-2-yl)-phenylmethanone, (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone, (3-methyl-5-nitro-benzofuran-2-yl)-phenyl-methanone
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 3.88042 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 849.3444 |
Chemical Identifiers
| CAS Number | 400076-05-3 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 |
Product Overview
(3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone (CAS 400076-05-3), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: (3-methyl-5-nitro-1-benzofuran-2-yl)-phenylmethanone.
Chemical Property Profile of (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone
Property Insights of (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone
The XLogP value of 3.88042 indicates that (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone. Following Lipinski's Rule of Five, (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone 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 (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone?
The CAS number of (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone is 400076-05-3.
What is the molecular formula of (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone?
The molecular formula of (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone is C16H11NO4.
What is the molecular weight of (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone?
The molecular weight of (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone is 281.07 g/mol.
Where can I buy (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone?
You can request a quote for (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-5-nitro-2-benzofuranyl)phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.