Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-
TL;DR: Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- (CAS 87002-13-9) is a chemical compound with molecular formula C14H8ClF5O and molecular weight 322.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-5-methylphenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
Also Known As: Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-, 1-[(2-chloro-5-methylphenoxy)methyl]-2,3,4,5,6-pentafluorobenzene, 1-[(2-chloro-5-methyl-phenoxy)methyl]-2,3,4,5,6-pentafluoro-benzene, Benzene,1-[(2-chloro-5-methylphenoxy)methyl]-2,3,4,5,6-pentafluoro, Benzene,1-[(2-chloro-5-methylphenoxy)methyl]-2,3,4,5,6-pentafluoro-
| Molecular Formula | C14H8ClF5O |
|---|---|
| Molecular Weight | 322.02 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.01837 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 87002-13-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)OCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | XVANHLGDCLZCCM-UHFFFAOYSA-N |
Product Overview
Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- (CAS 87002-13-9), with molecular formula C14H8ClF5O and molecular weight 322.02 g/mol. IUPAC: 1-[(2-chloro-5-methylphenoxy)methyl]-2,3,4,5,6-pentafluorobenzene.
Chemical Property Profile of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-
Property Insights of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-
The XLogP value of 4.9 indicates that Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-?
The CAS number of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- is 87002-13-9.
What is the molecular formula of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-?
The molecular formula of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- is C14H8ClF5O.
What is the molecular weight of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-?
The molecular weight of Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- is 322.02 g/mol.
Where can I buy Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-?
You can request a quote for Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, ((2-chloro-5-methylphenoxy)methyl)pentafluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.