双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯
TL;DR: 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 (CAS 30431-54-0) is a chemical compound with molecular formula C26H24Cl6O8 and molecular weight 673.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯
bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate
Also Known As: CPPO, Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate, Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate, 89536_FLUKA, Oxalic Acid Bis[2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl] Ester
| Molecular Formula | C26H24Cl6O8 |
|---|---|
| Molecular Weight | 673.96 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 675.9573 |
| Heavy Atoms | 40 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 30431-54-0 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)C(=O)OCCCCC |
| InChIKey | TZZLVFUOAYMTHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 (CAS 30431-54-0), with molecular formula C26H24Cl6O8 and molecular weight 673.96 g/mol. IUPAC: bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate.
Chemical Property Profile of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯
Property Insights of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯
The XLogP value of 10.6 indicates that 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯. Following Lipinski's Rule of Five, 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯?
The CAS number of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 is 30431-54-0.
What is the molecular formula of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯?
The molecular formula of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 is C26H24Cl6O8.
What is the molecular weight of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯?
The molecular weight of 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 is 673.96 g/mol.
Where can I buy 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯?
You can request a quote for 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(3,5,6-三氯-2-正戊氧基羰基苯基)草酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.