![Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate structure](/static/products/2200/220088-59-5.webp)
Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate
TL;DR: Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate (CAS 220088-59-5) is a chemical compound with molecular formula C8H11N3O3S2 and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: Maybridge1_001724, ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate, BTB 07522, ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxobutanoate, ethyl 4-((5-amino-1,3,4-thiadiazol-2-yl)thio)-3-oxobutanoate
| Molecular Formula | C8H11N3O3S2 |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 0.7347 |
| Topological Polar Surface Area | 95.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.02417 |
| Heavy Atoms | 16 |
| Complexity | 380.36038 |
Chemical Identifiers
| CAS Number | 220088-59-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NN=C(S1)N |
Product Overview
Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate (CAS 220088-59-5), with molecular formula C8H11N3O3S2 and molecular weight 261.02 g/mol. IUPAC: ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate
Property Insights of Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate
The XLogP value of 0.7347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate. The TPSA of 95.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate has 1 hydrogen bond donor(s) and 8 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 Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate?
The CAS number of Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate is 220088-59-5.
What is the molecular formula of Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate?
The molecular formula of Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate is C8H11N3O3S2.
What is the molecular weight of Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate?
The molecular weight of Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate is 261.02 g/mol.
Where can I buy Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate?
You can request a quote for Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.