2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
TL;DR: 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one (CAS 6045-39-2) is a chemical compound with molecular formula C7H4ClO3P and molecular weight 201.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3,2-benzodioxaphosphinin-4-one
Also Known As: 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one, Salicylchlorophosphite, Van Boom's Reagent, 2-chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one, Salicyl chlorophosphite
| Molecular Formula | C7H4ClO3P |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.95866 |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 6045-39-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OP(O2)Cl |
| InChIKey | BVOITXUNGDUXRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one (CAS 6045-39-2), with molecular formula C7H4ClO3P and molecular weight 201.96 g/mol. IUPAC: 2-chloro-1,3,2-benzodioxaphosphinin-4-one.
Chemical Property Profile of 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
Property Insights of 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-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 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one?
The CAS number of 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one is 6045-39-2.
What is the molecular formula of 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one?
The molecular formula of 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one is C7H4ClO3P.
What is the molecular weight of 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one?
The molecular weight of 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one is 201.96 g/mol.
Where can I buy 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one?
You can request a quote for 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.