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7-Chloro-benzo[1,4]dioxin-2-one
TL;DR: 7-Chloro-benzo[1,4]dioxin-2-one (CAS 329219-99-0) is a chemical compound with molecular formula C8H5ClO3 and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,4-benzodioxin-3-one
Also Known As: 7-chloro-benzo[1,4]dioxin-2-one, 6-chloro-1,4-benzodioxin-3-one, 1,4-Benzodioxin-2(3H)-one, 7-chloro-, 6-Chloro-1,4-benzodioxin-3(2H)-one, 7-Chloro-1,4-benzodioxin-2(3h)-one
| Molecular Formula | C8H5ClO3 |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 1.6378 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.99272 |
| Heavy Atoms | 12 |
| Complexity | 335.0749 |
Chemical Identifiers
| CAS Number | 329219-99-0 |
|---|---|
| SMILES | C1C(=O)OC2=C(O1)C=CC(=C2)Cl |
Product Overview
7-Chloro-benzo[1,4]dioxin-2-one (CAS 329219-99-0), with molecular formula C8H5ClO3 and molecular weight 183.99 g/mol. IUPAC: 6-chloro-1,4-benzodioxin-3-one.
Chemical Property Profile of 7-Chloro-benzo[1,4]dioxin-2-one
Property Insights of 7-Chloro-benzo[1,4]dioxin-2-one
The XLogP value of 1.6378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-benzo[1,4]dioxin-2-one. With a topological polar surface area (TPSA) of 35.53 Ų, 7-Chloro-benzo[1,4]dioxin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-benzo[1,4]dioxin-2-one 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 7-Chloro-benzo[1,4]dioxin-2-one?
The CAS number of 7-Chloro-benzo[1,4]dioxin-2-one is 329219-99-0.
What is the molecular formula of 7-Chloro-benzo[1,4]dioxin-2-one?
The molecular formula of 7-Chloro-benzo[1,4]dioxin-2-one is C8H5ClO3.
What is the molecular weight of 7-Chloro-benzo[1,4]dioxin-2-one?
The molecular weight of 7-Chloro-benzo[1,4]dioxin-2-one is 183.99 g/mol.
Where can I buy 7-Chloro-benzo[1,4]dioxin-2-one?
You can request a quote for 7-Chloro-benzo[1,4]dioxin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-benzo[1,4]dioxin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-benzo[1,4]dioxin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.