Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester
TL;DR: Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester (CAS 73972-99-3) is a chemical compound with molecular formula C19H16Cl4O4 and molecular weight 447.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-(1-phenylpentoxycarbonyl)benzoic acid
Also Known As: 1-Phenyl-1-amyl hydrogen tetrachlorophthalate, Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester, 2,3,4,5-tetrachloro-6-(1-phenylpentoxycarbonyl)benzoic acid, 2,3,4,5-Tetrachloro-6-{[(1-phenylpentyl)oxy]carbonyl}benzoic acid, Tetrachlorophthalic acid hydrogen 1-(1-phenylpentyl) ester
| Molecular Formula | C19H16Cl4O4 |
|---|---|
| Molecular Weight | 447.98 g/mol |
| LogP | 7.0867 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.98026 |
| Heavy Atoms | 27 |
| Complexity | 852.77844 |
Chemical Identifiers
| CAS Number | 73972-99-3 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)OC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester (CAS 73972-99-3), with molecular formula C19H16Cl4O4 and molecular weight 447.98 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-(1-phenylpentoxycarbonyl)benzoic acid.
Chemical Property Profile of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester
Property Insights of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester
The XLogP value of 7.0867 indicates that Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester. Following Lipinski's Rule of Five, Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester?
The CAS number of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester is 73972-99-3.
What is the molecular formula of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester?
The molecular formula of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester is C19H16Cl4O4.
What is the molecular weight of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester?
The molecular weight of Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester is 447.98 g/mol.
Where can I buy Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester?
You can request a quote for Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, tetrachloro-, mono(1-phenylpentyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.