E5-benzodioxaphosphinin-4-one
TL;DR: E5-benzodioxaphosphinin-4-one (CAS 69847-21-8) is a chemical compound with molecular formula C7H4Cl3O3P and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1,3,2λ5-benzodioxaphosphinin-4-one
Also Known As: E5-benzodioxaphosphinin-4-one, 2,2,2-trichloro-1,3,2, 2,2,2-trichloro-4h-1,3,2, 2,2,2-trichloro-4h-1,3,2, E5-benzodioxaphosphinin-4-one
| Molecular Formula | C7H4Cl3O3P |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.89636 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 69847-21-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OP(O2)(Cl)(Cl)Cl |
| InChIKey | BFGRQMSBMOXCTD-UHFFFAOYSA-N |
Product Overview
E5-benzodioxaphosphinin-4-one (CAS 69847-21-8), with molecular formula C7H4Cl3O3P and molecular weight 271.90 g/mol. IUPAC: 2,2,2-trichloro-1,3,2λ5-benzodioxaphosphinin-4-one.
Chemical Property Profile of E5-benzodioxaphosphinin-4-one
Property Insights of E5-benzodioxaphosphinin-4-one
The XLogP value of 4.0 indicates that E5-benzodioxaphosphinin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, E5-benzodioxaphosphinin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, E5-benzodioxaphosphinin-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 E5-benzodioxaphosphinin-4-one?
The CAS number of E5-benzodioxaphosphinin-4-one is 69847-21-8.
What is the molecular formula of E5-benzodioxaphosphinin-4-one?
The molecular formula of E5-benzodioxaphosphinin-4-one is C7H4Cl3O3P.
What is the molecular weight of E5-benzodioxaphosphinin-4-one?
The molecular weight of E5-benzodioxaphosphinin-4-one is 271.90 g/mol.
Where can I buy E5-benzodioxaphosphinin-4-one?
You can request a quote for E5-benzodioxaphosphinin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E5-benzodioxaphosphinin-4-one?
Yes, KEHONG BIO provides custom synthesis services for E5-benzodioxaphosphinin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.