Butyl 2-(carbamoylamino)-2-methylsulfanylacetate
TL;DR: Butyl 2-(carbamoylamino)-2-methylsulfanylacetate (CAS 64732-02-1) is a chemical compound with molecular formula C8H16N2O3S and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(carbamoylamino)-2-methylsulfanylacetate
Also Known As: butyl 2-(carbamoylamino)-2-methylsulfanylacetate, Butyl (carbamoylamino)(methylsulfanyl)acetate, BUTYL 2-(CARBAMOYLAMINO)-2-METHYLSULFANYL-ACETATE, Aceticacid, [(aminocarbonyl)amino](methylthio)-,butyl ester (9CI)
| Molecular Formula | C8H16N2O3S |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.08817 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 64732-02-1 |
|---|---|
| SMILES | CCCCOC(=O)C(NC(=O)N)SC |
| InChIKey | JMRKQGFZOLKHDP-UHFFFAOYSA-N |
Product Overview
Butyl 2-(carbamoylamino)-2-methylsulfanylacetate (CAS 64732-02-1), with molecular formula C8H16N2O3S and molecular weight 220.09 g/mol. IUPAC: butyl 2-(carbamoylamino)-2-methylsulfanylacetate.
Chemical Property Profile of Butyl 2-(carbamoylamino)-2-methylsulfanylacetate
Property Insights of Butyl 2-(carbamoylamino)-2-methylsulfanylacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-(carbamoylamino)-2-methylsulfanylacetate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-(carbamoylamino)-2-methylsulfanylacetate. Following Lipinski's Rule of Five, Butyl 2-(carbamoylamino)-2-methylsulfanylacetate has 2 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 Butyl 2-(carbamoylamino)-2-methylsulfanylacetate?
The CAS number of Butyl 2-(carbamoylamino)-2-methylsulfanylacetate is 64732-02-1.
What is the molecular formula of Butyl 2-(carbamoylamino)-2-methylsulfanylacetate?
The molecular formula of Butyl 2-(carbamoylamino)-2-methylsulfanylacetate is C8H16N2O3S.
What is the molecular weight of Butyl 2-(carbamoylamino)-2-methylsulfanylacetate?
The molecular weight of Butyl 2-(carbamoylamino)-2-methylsulfanylacetate is 220.09 g/mol.
Where can I buy Butyl 2-(carbamoylamino)-2-methylsulfanylacetate?
You can request a quote for Butyl 2-(carbamoylamino)-2-methylsulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-(carbamoylamino)-2-methylsulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-(carbamoylamino)-2-methylsulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.