Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate
TL;DR: Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate (CAS 391875-03-9) is a chemical compound with molecular formula C11H15N3O3S2 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
Also Known As: IFLab1_001948, ethyl 2-[(5-cyclopropaneamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate, ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate, F0470-0357, ethyl 2-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
| Molecular Formula | C11H15N3O3S2 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.9303 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.05548 |
| Heavy Atoms | 19 |
| Complexity | 473.5054 |
Chemical Identifiers
| CAS Number | 391875-03-9 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(S1)NC(=O)C2CC2 |
Product Overview
Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate (CAS 391875-03-9), with molecular formula C11H15N3O3S2 and molecular weight 301.06 g/mol. IUPAC: ethyl 2-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate
Property Insights of Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate
The XLogP value of 1.9303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate. Following Lipinski's Rule of Five, Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate 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 Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
The CAS number of Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate is 391875-03-9.
What is the molecular formula of Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
The molecular formula of Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate is C11H15N3O3S2.
What is the molecular weight of Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
The molecular weight of Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate is 301.06 g/mol.
Where can I buy Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
You can request a quote for Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.