![[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate structure](/static/products/852/852294-05-4.png)
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
TL;DR: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate (CAS 852294-05-4) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
Also Known As: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate|1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl 3-[(4-methylphenyl)sulfanyl]propanoate|MLS001004084|SMR000377725
| Molecular Formula | C16H22N2O4S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 2.23992 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.13004 |
| Heavy Atoms | 23 |
| Complexity | 557.7036 |
Chemical Identifiers
| CAS Number | 852294-05-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)OC(C(C)C)C(=O)NC(=O)N |
Product Overview
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate (CAS 852294-05-4), with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol. IUPAC: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate.
Chemical Property Profile of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
Property Insights of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
The XLogP value of 2.23992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate. Following Lipinski's Rule of Five, [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate has 2 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 [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate?
The CAS number of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate is 852294-05-4.
What is the molecular formula of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate?
The molecular formula of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate is C16H22N2O4S.
What is the molecular weight of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate?
The molecular weight of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate is 338.13 g/mol.
Where can I buy [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate?
You can request a quote for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.