2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-
TL;DR: 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- (CAS 73806-36-7) is a chemical compound with molecular formula C12H10Cl5O4P and molecular weight 423.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bis(prop-2-enoxy)phosphoryl-2,3,4,5,6-pentachlorocyclohexa-2,5-dien-1-one
Also Known As: 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-, 2, pentachloro-4-(diallylphosphono)-, O,O-Diallyl p-(4-keto-1,2,3,5,6-pentachloro-2,5-cyclohexadienyl)phosphonate, Phosphonic acid, (1,2,3,5,6-pentachloro-4-oxo-2,5-cyclohexadien-1-yl)-, di-2-propenyl ester, Phosphonic acid, (4-oxo-1,2,3,5,6-pentachloro-2,5-cyclohexadienyl)-, diallyl ester
| Molecular Formula | C12H10Cl5O4P |
|---|---|
| Molecular Weight | 423.88 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.873 |
| Heavy Atoms | 22 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 73806-36-7 |
|---|---|
| SMILES | C=CCOP(=O)(C1(C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl)Cl)OCC=C |
| InChIKey | YBBBPNIHQYSADG-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- (CAS 73806-36-7), with molecular formula C12H10Cl5O4P and molecular weight 423.88 g/mol. IUPAC: 4-bis(prop-2-enoxy)phosphoryl-2,3,4,5,6-pentachlorocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-
Property Insights of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-
The XLogP value of 4.1 indicates that 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- has 0 hydrogen bond donor(s) and 4 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 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-?
The CAS number of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- is 73806-36-7.
What is the molecular formula of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-?
The molecular formula of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- is C12H10Cl5O4P.
What is the molecular weight of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-?
The molecular weight of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- is 423.88 g/mol.
Where can I buy 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-?
You can request a quote for 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.