Desmethylgardona
TL;DR: Desmethylgardona (CAS 14299-52-6) is a chemical compound with molecular formula C9H7Cl4O4P and molecular weight 349.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
Also Known As: Desmethylgardona, Des-O-methyltetrachlorvinphos, Phosphoric acid, mono(2-chloro-1-(2,4,5-trichlorophenyl)ethenyl) monomethyl ester, [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate, Phosphoric acid, mono[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] monomethyl ester
| Molecular Formula | C9H7Cl4O4P |
|---|---|
| Molecular Weight | 349.88 g/mol |
| LogP | 4.9474 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.8836 |
| Heavy Atoms | 18 |
| Complexity | 531.54407 |
Chemical Identifiers
| CAS Number | 14299-52-6 |
|---|---|
| SMILES | COP(=O)(O)O/C(=C/Cl)/C1=CC(=C(C=C1Cl)Cl)Cl |
Product Overview
Desmethylgardona (CAS 14299-52-6), with molecular formula C9H7Cl4O4P and molecular weight 349.88 g/mol. IUPAC: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate.
Chemical Property Profile of Desmethylgardona
Property Insights of Desmethylgardona
The XLogP value of 4.9474 indicates that Desmethylgardona is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, Desmethylgardona exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desmethylgardona has 1 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 Desmethylgardona?
The CAS number of Desmethylgardona is 14299-52-6.
What is the molecular formula of Desmethylgardona?
The molecular formula of Desmethylgardona is C9H7Cl4O4P.
What is the molecular weight of Desmethylgardona?
The molecular weight of Desmethylgardona is 349.88 g/mol.
Where can I buy Desmethylgardona?
You can request a quote for Desmethylgardona directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylgardona?
Yes, KEHONG BIO provides custom synthesis services for Desmethylgardona and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.