5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
TL;DR: 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 5680-53-5) is a chemical compound with molecular formula C16H14Cl2O3 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 5-chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 5-chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-b
| Molecular Formula | C16H14Cl2O3 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.032 |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 5680-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=C(C(C3C2C(=O)OC3=O)CCCl)Cl |
| InChIKey | RLOZOJLSGDIQCQ-UHFFFAOYSA-N |
Product Overview
5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 5680-53-5), with molecular formula C16H14Cl2O3 and molecular weight 324.03 g/mol. IUPAC: 5-chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Property Insights of 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
The XLogP value of 3.3 indicates that 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione has 0 hydrogen bond donor(s) and 3 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 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The CAS number of 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 5680-53-5.
What is the molecular formula of 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular formula of 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is C16H14Cl2O3.
What is the molecular weight of 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular weight of 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 324.03 g/mol.
Where can I buy 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
You can request a quote for 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-(2-chloroethyl)-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.