6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
TL;DR: 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine (CAS 2164-44-5) is a chemical compound with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Also Known As: 7-Chlor-2-chlormethyl-1,4-benzodioxan, 7-chloro-2-chloromethyl-2,3-dihydro-benzo[1,4]dioxin, 6-chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine, 7-chloro-2-(chloromethyl)-2,3-dihydro-1,4-benzodioxine, 7-Chloro-2-(chloromethyl)-2,3-dihydrobenzo[b][1,4]dioxine
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 2164-44-5 |
|---|---|
| SMILES | C1C(OC2=C(O1)C=CC(=C2)Cl)CCl |
| InChIKey | FLYIUBWEPRSAPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine (CAS 2164-44-5), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: 6-chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Property Insights of 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine. With a topological polar surface area (TPSA) of 18.5 Ų, 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine has 0 hydrogen bond donor(s) and 2 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 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The CAS number of 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is 2164-44-5.
What is the molecular formula of 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The molecular formula of 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is C9H8Cl2O2.
What is the molecular weight of 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The molecular weight of 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is 217.99 g/mol.
Where can I buy 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
You can request a quote for 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.