1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene
TL;DR: 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene (CAS 87001-98-7) is a chemical compound with molecular formula C13H5Cl2F5O and molecular weight 341.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
Also Known As: Phenol, 2,4-dichloro, PFB, Phenol, 2,4-dichloro, PFB ether, Benzene, [(2,4-dichlorophenoxy)methyl]pentafluoro-, 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene, 1-[(2,4-Dichlorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
| Molecular Formula | C13H5Cl2F5O |
|---|---|
| Molecular Weight | 341.96 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.96378 |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 87001-98-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | MPMARYKUXPMQON-UHFFFAOYSA-N |
Product Overview
1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene (CAS 87001-98-7), with molecular formula C13H5Cl2F5O and molecular weight 341.96 g/mol. IUPAC: 1-[(2,4-dichlorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene.
Chemical Property Profile of 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene
Property Insights of 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene
The XLogP value of 5.1 indicates that 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene 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 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene?
The CAS number of 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene is 87001-98-7.
What is the molecular formula of 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene?
The molecular formula of 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene is C13H5Cl2F5O.
What is the molecular weight of 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene?
The molecular weight of 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene is 341.96 g/mol.
Where can I buy 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene?
You can request a quote for 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-((2,4-Dichlorophenoxy)methyl)-2,3,4,5,6-pentafluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.