Isopropyl tetrachlorophthalate
TL;DR: Isopropyl tetrachlorophthalate (CAS 104472-57-3) is a chemical compound with molecular formula C11H8Cl4O4 and molecular weight 343.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-propan-2-yloxycarbonylbenzoic acid
Also Known As: ISOPROPYL TETRACHLOROPHTHALATE, 2,3,4,5-tetrachloro-6-propan-2-yloxycarbonyl-benzoic Acid, 2,3,4,5-tetrachloro-6-propan-2-yloxycarbonylbenzoic acid, 2,3,4,5-tetrachloro-6-[(propan-2-yloxy)carbonyl]benzoic acid, 666-853-1
| Molecular Formula | C11H8Cl4O4 |
|---|---|
| Molecular Weight | 343.92 g/mol |
| LogP | 4.5636 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.91766 |
| Heavy Atoms | 19 |
| Complexity | 554.3616 |
Chemical Identifiers
| CAS Number | 104472-57-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
Isopropyl tetrachlorophthalate (CAS 104472-57-3), with molecular formula C11H8Cl4O4 and molecular weight 343.92 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-propan-2-yloxycarbonylbenzoic acid.
Chemical Property Profile of Isopropyl tetrachlorophthalate
Property Insights of Isopropyl tetrachlorophthalate
The XLogP value of 4.5636 indicates that Isopropyl tetrachlorophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl tetrachlorophthalate. Following Lipinski's Rule of Five, Isopropyl tetrachlorophthalate has 1 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 Isopropyl tetrachlorophthalate?
The CAS number of Isopropyl tetrachlorophthalate is 104472-57-3.
What is the molecular formula of Isopropyl tetrachlorophthalate?
The molecular formula of Isopropyl tetrachlorophthalate is C11H8Cl4O4.
What is the molecular weight of Isopropyl tetrachlorophthalate?
The molecular weight of Isopropyl tetrachlorophthalate is 343.92 g/mol.
Where can I buy Isopropyl tetrachlorophthalate?
You can request a quote for Isopropyl tetrachlorophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl tetrachlorophthalate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl tetrachlorophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.