Dibutyl tetrachlorophthalate
TL;DR: Dibutyl tetrachlorophthalate (CAS 3015-66-5) is a chemical compound with molecular formula C16H18Cl4O4 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Also Known As: Dibutyl tetrachlorophthalate, Dibutyl 2,3,4,5-Tetrachlorophthalate, Dibutyltetrachlorophthalate, Tetrachlorophthalic acid dibutyl ester, dibutyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
| Molecular Formula | C16H18Cl4O4 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 415.99298 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 3015-66-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCCCC |
| InChIKey | CZYWSKLOYGOGRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl tetrachlorophthalate (CAS 3015-66-5), with molecular formula C16H18Cl4O4 and molecular weight 414.00 g/mol. IUPAC: dibutyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate.
Chemical Property Profile of Dibutyl tetrachlorophthalate
Property Insights of Dibutyl tetrachlorophthalate
The XLogP value of 6.6 indicates that Dibutyl tetrachlorophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl tetrachlorophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl tetrachlorophthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibutyl tetrachlorophthalate?
The CAS number of Dibutyl tetrachlorophthalate is 3015-66-5.
What is the molecular formula of Dibutyl tetrachlorophthalate?
The molecular formula of Dibutyl tetrachlorophthalate is C16H18Cl4O4.
What is the molecular weight of Dibutyl tetrachlorophthalate?
The molecular weight of Dibutyl tetrachlorophthalate is 414.00 g/mol.
Where can I buy Dibutyl tetrachlorophthalate?
You can request a quote for Dibutyl tetrachlorophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl tetrachlorophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl tetrachlorophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.