3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate
TL;DR: 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate (CAS 70615-19-9) is a chemical compound with molecular formula C24H36Cl2O4 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(3-chloro-2-ethylhexyl) 1-O-(4-chloro-2-ethylhexyl) benzene-1,2-dicarboxylate
Also Known As: 3-chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester, chlorinated, 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester, chlorinated, 2-O-(3-chloro-2-ethylhexyl) 1-O-(4-chloro-2-ethylhexyl) benzene-1,2-dicarboxylate
| Molecular Formula | C24H36Cl2O4 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 458.19907 |
| Heavy Atoms | 30 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 70615-19-9 |
|---|---|
| SMILES | CCCC(C(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CC(CC)Cl)Cl |
| InChIKey | BQQJWMBDFUILPD-UHFFFAOYSA-N |
Product Overview
3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate (CAS 70615-19-9), with molecular formula C24H36Cl2O4 and molecular weight 458.20 g/mol. IUPAC: 2-O-(3-chloro-2-ethylhexyl) 1-O-(4-chloro-2-ethylhexyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate
Property Insights of 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate
The XLogP value of 7.7 indicates that 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-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, 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-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 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate?
The CAS number of 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate is 70615-19-9.
What is the molecular formula of 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate?
The molecular formula of 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate is C24H36Cl2O4.
What is the molecular weight of 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate?
The molecular weight of 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate is 458.20 g/mol.
Where can I buy 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate?
You can request a quote for 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-ethylhexyl 4-chloro-2-ethylhexyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.