Pentachlorophenyl (4-chlorophenoxy)acetate
TL;DR: Pentachlorophenyl (4-chlorophenoxy)acetate (CAS 5184-18-9) is a chemical compound with molecular formula C14H6Cl6O3 and molecular weight 431.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 2-(4-chlorophenoxy)acetate
Also Known As: pentachlorophenyl (4-chlorophenoxy)acetate, (2,3,4,5,6-pentachlorophenyl) 2-(4-chlorophenoxy)acetate
| Molecular Formula | C14H6Cl6O3 |
|---|---|
| Molecular Weight | 431.84 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.84482 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 5184-18-9 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | KFULSRNXLHJCFQ-UHFFFAOYSA-N |
Product Overview
Pentachlorophenyl (4-chlorophenoxy)acetate (CAS 5184-18-9), with molecular formula C14H6Cl6O3 and molecular weight 431.84 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of Pentachlorophenyl (4-chlorophenoxy)acetate
Property Insights of Pentachlorophenyl (4-chlorophenoxy)acetate
The XLogP value of 7.1 indicates that Pentachlorophenyl (4-chlorophenoxy)acetate 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-chlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl (4-chlorophenoxy)acetate 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-chlorophenoxy)acetate?
The CAS number of Pentachlorophenyl (4-chlorophenoxy)acetate is 5184-18-9.
What is the molecular formula of Pentachlorophenyl (4-chlorophenoxy)acetate?
The molecular formula of Pentachlorophenyl (4-chlorophenoxy)acetate is C14H6Cl6O3.
What is the molecular weight of Pentachlorophenyl (4-chlorophenoxy)acetate?
The molecular weight of Pentachlorophenyl (4-chlorophenoxy)acetate is 431.84 g/mol.
Where can I buy Pentachlorophenyl (4-chlorophenoxy)acetate?
You can request a quote for Pentachlorophenyl (4-chlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl (4-chlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl (4-chlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.