Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate
TL;DR: Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate (CAS 403836-36-2) is a chemical compound with molecular formula C11H17N3O3S2 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
Also Known As: AB00673044-01, butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate, F1016-0482, butyl 2-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)acetate, butyl 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
| Molecular Formula | C11H17N3O3S2 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 1.86152 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.07114 |
| Heavy Atoms | 19 |
| Complexity | 423.07285 |
Chemical Identifiers
| CAS Number | 403836-36-2 |
|---|---|
| SMILES | CCCCOC(=O)CSCC(=O)NC1=NN=C(S1)C |
Product Overview
Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate (CAS 403836-36-2), with molecular formula C11H17N3O3S2 and molecular weight 303.07 g/mol. IUPAC: butyl 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate
Property Insights of Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate
The XLogP value of 1.86152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate. Following Lipinski's Rule of Five, Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate has 1 hydrogen bond donor(s) and 7 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-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate?
The CAS number of Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate is 403836-36-2.
What is the molecular formula of Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate?
The molecular formula of Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate is C11H17N3O3S2.
What is the molecular weight of Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate?
The molecular weight of Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate is 303.07 g/mol.
Where can I buy Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate?
You can request a quote for Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.