J2.004.559K
TL;DR: J2.004.559K (CAS 7230-45-7) is a chemical compound with molecular formula C21H12F4O and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrafluoro-3-(2-phenylethynyl)-6-phenylmethoxybenzene
Also Known As: J2.004.559K, 1-(Phenylethynyl)-4-(benzyloxy)-2,3,5,6-tetrafluorobenzene, 1-(benzyloxy)-2,3,5,6-tetrafluoro-4-(2-phenylethynyl)benzene, 1-(Benzyloxy)-2,3,5,6-tetrafluoro-4-(phenylethynyl)benzene, 1,2,4,5-tetrafluoro-3-(2-phenylethynyl)-6-phenylmethoxy-benzene
| Molecular Formula | C21H12F4O |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 5.2218 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.08243 |
| Heavy Atoms | 26 |
| Complexity | 937.1283 |
Chemical Identifiers
| CAS Number | 7230-45-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C(=C(C(=C2F)F)C#CC3=CC=CC=C3)F)F |
Product Overview
J2.004.559K (CAS 7230-45-7), with molecular formula C21H12F4O and molecular weight 356.08 g/mol. IUPAC: 1,2,4,5-tetrafluoro-3-(2-phenylethynyl)-6-phenylmethoxybenzene.
Chemical Property Profile of J2.004.559K
Property Insights of J2.004.559K
The XLogP value of 5.2218 indicates that J2.004.559K is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, J2.004.559K exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.004.559K has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J2.004.559K?
The CAS number of J2.004.559K is 7230-45-7.
What is the molecular formula of J2.004.559K?
The molecular formula of J2.004.559K is C21H12F4O.
What is the molecular weight of J2.004.559K?
The molecular weight of J2.004.559K is 356.08 g/mol.
Where can I buy J2.004.559K?
You can request a quote for J2.004.559K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.004.559K?
Yes, KEHONG BIO provides custom synthesis services for J2.004.559K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.