6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione
TL;DR: 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione (CAS 413571-54-7) is a chemical compound with molecular formula C16H8Cl2O4 and molecular weight 333.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione
Also Known As: Probes1_000406, Probes2_000432, BIM-0047952.P001, 6,7-dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione, 6,7-dichloro-3-p-toluoyl-benzofuran-4,5-quinone
| Molecular Formula | C16H8Cl2O4 |
|---|---|
| Molecular Weight | 333.98 g/mol |
| LogP | 3.73062 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.97995 |
| Heavy Atoms | 22 |
| Complexity | 856.771 |
Chemical Identifiers
| CAS Number | 413571-54-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=O)C(=O)C(=C3Cl)Cl |
Product Overview
6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione (CAS 413571-54-7), with molecular formula C16H8Cl2O4 and molecular weight 333.98 g/mol. IUPAC: 6,7-dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione.
Chemical Property Profile of 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione
Property Insights of 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione
The XLogP value of 3.73062 indicates that 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione. Following Lipinski's Rule of Five, 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione 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 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione?
The CAS number of 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione is 413571-54-7.
What is the molecular formula of 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione?
The molecular formula of 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione is C16H8Cl2O4.
What is the molecular weight of 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione?
The molecular weight of 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione is 333.98 g/mol.
Where can I buy 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione?
You can request a quote for 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dichloro-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.