![2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate structure](/static/products/7755/77550-50-6.webp)
2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate
TL;DR: 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate (CAS 77550-50-6) is a chemical compound with molecular formula C11H23O4PS and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butylsulfanyl(methyl)phosphoryl]oxyethyl butanoate
Also Known As: 2-{[(butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate, 2-[butylsulfanyl(methyl)phosphoryl]oxyethyl butanoate, 2-(butylsulfanyl-methyl-phosphoryl)oxyethyl Butanoate, Butanoic acid, 2-(((butylthio)methylphosphinyl)oxy)ethyl ester, Butanoic acid,2-[[(butylthio)methylphosphinyl]oxy]ethyl ester
| Molecular Formula | C11H23O4PS |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 282.10547 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 77550-50-6 |
|---|---|
| SMILES | CCCCSP(=O)(C)OCCOC(=O)CCC |
| InChIKey | SKQAQWNGPPIEOK-UHFFFAOYSA-N |
Product Overview
2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate (CAS 77550-50-6), with molecular formula C11H23O4PS and molecular weight 282.11 g/mol. IUPAC: 2-[butylsulfanyl(methyl)phosphoryl]oxyethyl butanoate.
Chemical Property Profile of 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate
Property Insights of 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate. Following Lipinski's Rule of Five, 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate has 0 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 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate?
The CAS number of 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate is 77550-50-6.
What is the molecular formula of 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate?
The molecular formula of 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate is C11H23O4PS.
What is the molecular weight of 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate?
The molecular weight of 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate is 282.11 g/mol.
Where can I buy 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate?
You can request a quote for 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.