Butan-1-ol;3,4,5,6-tetrachlorophthalic acid
TL;DR: Butan-1-ol;3,4,5,6-tetrachlorophthalic acid (CAS 69011-12-7) is a chemical compound with molecular formula C12H12Cl4O5 and molecular weight 375.94388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butan-1-ol;3,4,5,6-tetrachlorophthalic acid
Also Known As: butan-1-ol;3,4,5,6-tetrachlorophthalic acid, butan-1-ol; 3,4,5,6-tetrachlorophthalic acid, 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, butyl ester
Technical Specifications
| Molecular Formula | C12H12Cl4O5 |
| Molecular Weight | 375.94388 g/mol |
| XLogP | 4.48 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.94095 Da |
| Heavy Atoms | 21 |
| Complexity | 294.0 |
| SMILES | CCCCO.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | ZRIFDEDKLQNHFO-UHFFFAOYSA-N |
Chemical Property Profile of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid
Property Insights of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid
The XLogP value of 4.48 indicates that Butan-1-ol;3,4,5,6-tetrachlorophthalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-1-ol;3,4,5,6-tetrachlorophthalic acid. Following Lipinski's Rule of Five, Butan-1-ol;3,4,5,6-tetrachlorophthalic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid?
The CAS number of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid is 69011-12-7.
What is the molecular formula of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid?
The molecular formula of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid is C12H12Cl4O5.
What is the molecular weight of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid?
The molecular weight of Butan-1-ol;3,4,5,6-tetrachlorophthalic acid is 375.94388 g/mol.
Where can I buy Butan-1-ol;3,4,5,6-tetrachlorophthalic acid?
You can request a quote for Butan-1-ol;3,4,5,6-tetrachlorophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butan-1-ol;3,4,5,6-tetrachlorophthalic acid?
Yes, CoreyChem provides custom synthesis services for Butan-1-ol;3,4,5,6-tetrachlorophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.