(4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone
TL;DR: (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone (CAS 400076-06-4) is a chemical compound with molecular formula C16H10ClNO4 and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(3-methyl-5-nitro-1-benzofuran-2-yl)methanone
Also Known As: 2-(4-chlorobenzoyl)-3-methyl-5-nitro-1-benzofuran, (4-chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone, 11J-568S, (4-chlorophenyl)-(3-methyl-5-nitro-1-benzofuran-2-yl)methanone, (4-chlorophenyl)-(3-methyl-5-nitro-benzofuran-2-yl)methanone
| Molecular Formula | C16H10ClNO4 |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 4.53382 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.02985 |
| Heavy Atoms | 22 |
| Complexity | 896.39984 |
Chemical Identifiers
| CAS Number | 400076-06-4 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl |
Product Overview
(4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone (CAS 400076-06-4), with molecular formula C16H10ClNO4 and molecular weight 315.03 g/mol. IUPAC: (4-chlorophenyl)-(3-methyl-5-nitro-1-benzofuran-2-yl)methanone.
Chemical Property Profile of (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone
Property Insights of (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone
The XLogP value of 4.53382 indicates that (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone 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 (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone. Following Lipinski's Rule of Five, (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone 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 (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone?
The CAS number of (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone is 400076-06-4.
What is the molecular formula of (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone?
The molecular formula of (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone is C16H10ClNO4.
What is the molecular weight of (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone?
The molecular weight of (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone is 315.03 g/mol.
Where can I buy (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone?
You can request a quote for (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(3-methyl-5-nitro-1-benzofuran-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.