(2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester
TL;DR: (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester (CAS 68704-50-7) is a chemical compound with molecular formula C15H7Cl2F5O3 and molecular weight 399.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
Also Known As: 2,4-D PFB ester, 2,4-D, PFB, (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester, (Pentafluorophenyl)methyl (2,4-dichlorophenoxy)acetate, 2,4-Dichlorophenoxyacetic acid, pentafluorophenylmethyl ester
| Molecular Formula | C15H7Cl2F5O3 |
|---|---|
| Molecular Weight | 399.97 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.96924 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 68704-50-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | PZSLTUFVPUDAQF-UHFFFAOYSA-N |
Product Overview
(2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester (CAS 68704-50-7), with molecular formula C15H7Cl2F5O3 and molecular weight 399.97 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)methyl 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester
Property Insights of (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester
The XLogP value of 5.1 indicates that (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester has 0 hydrogen bond donor(s) and 8 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-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester?
The CAS number of (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester is 68704-50-7.
What is the molecular formula of (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester?
The molecular formula of (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester is C15H7Cl2F5O3.
What is the molecular weight of (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester?
The molecular weight of (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester is 399.97 g/mol.
Where can I buy (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester?
You can request a quote for (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.