Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
TL;DR: Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate (CAS 38507-46-9) 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 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
Also Known As: dibutyl 2,3,5,6-tetrachloroterephthalate, dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrachloro-, 1,4-dibutyl ester
| 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 | 413.9959 |
| Heavy Atoms | 24 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 38507-46-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OCCCC)Cl)Cl |
| InChIKey | XUKIPUHQJITFEB-UHFFFAOYSA-N |
Product Overview
Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate (CAS 38507-46-9), with molecular formula C16H18Cl4O4 and molecular weight 414.00 g/mol. IUPAC: dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
Property Insights of Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
The XLogP value of 6.6 indicates that Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate 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 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate 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 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate?
The CAS number of Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate is 38507-46-9.
What is the molecular formula of Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate?
The molecular formula of Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate is C16H18Cl4O4.
What is the molecular weight of Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate?
The molecular weight of Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate is 414.00 g/mol.
Where can I buy Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate?
You can request a quote for Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.