![2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate structure](/static/products/6299/6299-93-0.webp)
2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate
TL;DR: 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate (CAS 6299-93-0) is a chemical compound with molecular formula C17H13Cl3O6 and molecular weight 417.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) 4-ethoxycarbonyloxy-3-methoxybenzoate
Also Known As: 2,4,5-trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate, (2,4,5-trichlorophenyl) 4-ethoxycarbonyloxy-3-methoxybenzoate, Carbaethoxyvanillinsaeure-<2,4,5-trichlorphenylester>, (2,4,5-trichlorophenyl) 4-ethoxycarbonyloxy-3-methoxy-benzoate, (2,4,5-trichlorophenyl) 4-ethoxycarbonyloxy-3-methoxybenzoat
| Molecular Formula | C17H13Cl3O6 |
|---|---|
| Molecular Weight | 417.98 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.97778 |
| Heavy Atoms | 26 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 6299-93-0 |
|---|---|
| SMILES | CCOC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl)OC |
| InChIKey | WSWSLXPWTLFIFP-UHFFFAOYSA-N |
Product Overview
2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate (CAS 6299-93-0), with molecular formula C17H13Cl3O6 and molecular weight 417.98 g/mol. IUPAC: (2,4,5-trichlorophenyl) 4-ethoxycarbonyloxy-3-methoxybenzoate.
Chemical Property Profile of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate
Property Insights of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate
The XLogP value of 5.7 indicates that 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate?
The CAS number of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate is 6299-93-0.
What is the molecular formula of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate?
The molecular formula of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate is C17H13Cl3O6.
What is the molecular weight of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate?
The molecular weight of 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate is 417.98 g/mol.
Where can I buy 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate?
You can request a quote for 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.