5-Chloro-1,3-benzodioxole
TL;DR: 5-Chloro-1,3-benzodioxole (CAS 7228-41-3) is a chemical compound with molecular formula C7H5ClO2 and molecular weight 156.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-benzodioxole
Also Known As: 5-Chloro-1,3-benzodioxole, 5-Chlorobenzo[d][1,3]dioxole, 1,3-benzodioxole, 5-chloro-, 1-Chloro-3,4-methylenedioxybenzene, 5-chloro-2H-1,3-benzodioxole
| Molecular Formula | C7H5ClO2 |
|---|---|
| Molecular Weight | 156.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.9978 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 7228-41-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)Cl |
| InChIKey | ODQPZHOXLYATLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-1,3-benzodioxole (CAS 7228-41-3), with molecular formula C7H5ClO2 and molecular weight 156.00 g/mol. IUPAC: 5-chloro-1,3-benzodioxole.
Chemical Property Profile of 5-Chloro-1,3-benzodioxole
Property Insights of 5-Chloro-1,3-benzodioxole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.5 Ų, 5-Chloro-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3-benzodioxole 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 5-Chloro-1,3-benzodioxole?
The CAS number of 5-Chloro-1,3-benzodioxole is 7228-41-3.
What is the molecular formula of 5-Chloro-1,3-benzodioxole?
The molecular formula of 5-Chloro-1,3-benzodioxole is C7H5ClO2.
What is the molecular weight of 5-Chloro-1,3-benzodioxole?
The molecular weight of 5-Chloro-1,3-benzodioxole is 156.00 g/mol.
Where can I buy 5-Chloro-1,3-benzodioxole?
You can request a quote for 5-Chloro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.