1-(2,2-Diethoxyethyl)-4-fluorobenzene
TL;DR: 1-(2,2-Diethoxyethyl)-4-fluorobenzene (CAS 1743-98-2) is a chemical compound with molecular formula C12H17FO2 and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-diethoxyethyl)-4-fluorobenzene
Also Known As: 1-(2,2-Diethoxyethyl)-4-fluorobenzene, Benzene, 1-(2,2-diethoxyethyl)-4-fluoro-, 1-(2,2-diethoxyethyl)-4-fluoro-benzene, Benzene,1-(2,2-diethoxyethyl)-4-fluoro-, 217-115-9
| Molecular Formula | C12H17FO2 |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.12126 |
| Heavy Atoms | 15 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 1743-98-2 |
|---|---|
| SMILES | CCOC(CC1=CC=C(C=C1)F)OCC |
| InChIKey | KHBPNUUPZGUYDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,2-Diethoxyethyl)-4-fluorobenzene (CAS 1743-98-2), with molecular formula C12H17FO2 and molecular weight 212.12 g/mol. IUPAC: 1-(2,2-diethoxyethyl)-4-fluorobenzene.
Chemical Property Profile of 1-(2,2-Diethoxyethyl)-4-fluorobenzene
Property Insights of 1-(2,2-Diethoxyethyl)-4-fluorobenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2-Diethoxyethyl)-4-fluorobenzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(2,2-Diethoxyethyl)-4-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Diethoxyethyl)-4-fluorobenzene has 0 hydrogen bond donor(s) and 3 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 1-(2,2-Diethoxyethyl)-4-fluorobenzene?
The CAS number of 1-(2,2-Diethoxyethyl)-4-fluorobenzene is 1743-98-2.
What is the molecular formula of 1-(2,2-Diethoxyethyl)-4-fluorobenzene?
The molecular formula of 1-(2,2-Diethoxyethyl)-4-fluorobenzene is C12H17FO2.
What is the molecular weight of 1-(2,2-Diethoxyethyl)-4-fluorobenzene?
The molecular weight of 1-(2,2-Diethoxyethyl)-4-fluorobenzene is 212.12 g/mol.
Where can I buy 1-(2,2-Diethoxyethyl)-4-fluorobenzene?
You can request a quote for 1-(2,2-Diethoxyethyl)-4-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Diethoxyethyl)-4-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Diethoxyethyl)-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.