Demethylvinylbutonate
TL;DR: Demethylvinylbutonate (CAS 73321-75-2) is a chemical compound with molecular formula C7H11Cl2O5P and molecular weight 275.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butanoyloxy-2,2-dichloroethenyl)-methoxyphosphinic acid
Also Known As: Demethylvinylbutonate, Demethyl vinylbutonate, (1-butanoyloxy-2,2-dichloroethenyl)-methoxyphosphinic acid, 2,2-Dichloro-1-[hydroxy(methoxy)phosphoryl]ethen-1-yl butanoate, Butanoic acid, 2,2-dichloro-1-(hydroxymethoxyphosphinyl)ethenyl ester
| Molecular Formula | C7H11Cl2O5P |
|---|---|
| Molecular Weight | 275.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.9721 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 73321-75-2 |
|---|---|
| SMILES | CCCC(=O)OC(=C(Cl)Cl)P(=O)(O)OC |
| InChIKey | GUPKBJYKYHVDMH-UHFFFAOYSA-N |
Product Overview
Demethylvinylbutonate (CAS 73321-75-2), with molecular formula C7H11Cl2O5P and molecular weight 275.97 g/mol. IUPAC: (1-butanoyloxy-2,2-dichloroethenyl)-methoxyphosphinic acid.
Chemical Property Profile of Demethylvinylbutonate
Property Insights of Demethylvinylbutonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethylvinylbutonate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethylvinylbutonate. Following Lipinski's Rule of Five, Demethylvinylbutonate has 1 hydrogen bond donor(s) and 5 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 Demethylvinylbutonate?
The CAS number of Demethylvinylbutonate is 73321-75-2.
What is the molecular formula of Demethylvinylbutonate?
The molecular formula of Demethylvinylbutonate is C7H11Cl2O5P.
What is the molecular weight of Demethylvinylbutonate?
The molecular weight of Demethylvinylbutonate is 275.97 g/mol.
Where can I buy Demethylvinylbutonate?
You can request a quote for Demethylvinylbutonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylvinylbutonate?
Yes, KEHONG BIO provides custom synthesis services for Demethylvinylbutonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.