Pentachlorophenyl 4-methoxybenzoate
TL;DR: Pentachlorophenyl 4-methoxybenzoate (CAS 7399-56-6) is a chemical compound with molecular formula C14H7Cl5O3 and molecular weight 397.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate
Also Known As: pentachlorophenyl 4-methoxybenzoate, (2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate, p-methoxybenzoic acid pentachlorophenyl ester
| Molecular Formula | C14H7Cl5O3 |
|---|---|
| Molecular Weight | 397.88 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.8838 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 7399-56-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | TXONTFRBXOCPBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachlorophenyl 4-methoxybenzoate (CAS 7399-56-6), with molecular formula C14H7Cl5O3 and molecular weight 397.88 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate.
Chemical Property Profile of Pentachlorophenyl 4-methoxybenzoate
Property Insights of Pentachlorophenyl 4-methoxybenzoate
The XLogP value of 6.4 indicates that Pentachlorophenyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Pentachlorophenyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl 4-methoxybenzoate has 0 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 Pentachlorophenyl 4-methoxybenzoate?
The CAS number of Pentachlorophenyl 4-methoxybenzoate is 7399-56-6.
What is the molecular formula of Pentachlorophenyl 4-methoxybenzoate?
The molecular formula of Pentachlorophenyl 4-methoxybenzoate is C14H7Cl5O3.
What is the molecular weight of Pentachlorophenyl 4-methoxybenzoate?
The molecular weight of Pentachlorophenyl 4-methoxybenzoate is 397.88 g/mol.
Where can I buy Pentachlorophenyl 4-methoxybenzoate?
You can request a quote for Pentachlorophenyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.