2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin
TL;DR: 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin (CAS 2164-33-2) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Also Known As: 2-(chloromethyl)-2,3-dihydro-1,4-benzodioxine, 1-Naphthalenethiol, 2-Chloromethyl-1,4-benzodioxane, 2-(chloromethyl)-2,3-dihydrobenzo[b][1,4]dioxine, 2-chloromethyl-benzodioxane
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 2164-33-2 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CCl |
| InChIKey | AYPKYQSHFKQVDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin (CAS 2164-33-2), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: 3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin
Property Insights of 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin 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 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin?
The CAS number of 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin is 2164-33-2.
What is the molecular formula of 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin?
The molecular formula of 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin is C9H9ClO2.
What is the molecular weight of 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin?
The molecular weight of 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin is 184.03 g/mol.
Where can I buy 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin?
You can request a quote for 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.