8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine
TL;DR: 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine (CAS 852217-74-4) is a chemical compound with molecular formula C13H10ClFO2S and molecular weight 284.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(chloromethyl)-6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxine
Also Known As: 8-(chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine, 8-(chloromethyl)-6-fluoro-2-thien-3-yl-4H-1,3-benzodioxine, 8-(chloromethyl)-6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxine
| Molecular Formula | C13H10ClFO2S |
|---|---|
| Molecular Weight | 284.01 g/mol |
| LogP | 4.2338 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.00742 |
| Heavy Atoms | 18 |
| Complexity | 539.11896 |
Chemical Identifiers
| CAS Number | 852217-74-4 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)F)CCl)OC(O1)C3=CSC=C3 |
Product Overview
8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine (CAS 852217-74-4), with molecular formula C13H10ClFO2S and molecular weight 284.01 g/mol. IUPAC: 8-(chloromethyl)-6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxine.
Chemical Property Profile of 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine
Property Insights of 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine
The XLogP value of 4.2338 indicates that 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine 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 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine?
The CAS number of 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine is 852217-74-4.
What is the molecular formula of 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine?
The molecular formula of 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine is C13H10ClFO2S.
What is the molecular weight of 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine?
The molecular weight of 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine is 284.01 g/mol.
Where can I buy 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine?
You can request a quote for 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 8-(Chloromethyl)-6-fluoro-2-(thiophen-3-yl)-2,4-dihydro-1,3-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.