Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate
TL;DR: Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate (CAS 391874-91-2) is a chemical compound with molecular formula C14H13ClFN3O3S2 and molecular weight 389.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(2-chloro-6-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
Also Known As: IFLab1_001816, F0470-0341, ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate, ethyl 2-[[5-[(2-chloro-6-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate, ethyl 2-{[5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}propanoate
| Molecular Formula | C14H13ClFN3O3S2 |
|---|---|
| Molecular Weight | 389.01 g/mol |
| LogP | 3.6266 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.00708 |
| Heavy Atoms | 24 |
| Complexity | 736.36597 |
Chemical Identifiers
| CAS Number | 391874-91-2 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(S1)NC(=O)C2=C(C=CC=C2Cl)F |
Product Overview
Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate (CAS 391874-91-2), with molecular formula C14H13ClFN3O3S2 and molecular weight 389.01 g/mol. IUPAC: ethyl 2-[[5-[(2-chloro-6-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate
Property Insights of Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate
The XLogP value of 3.6266 indicates that Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate. Following Lipinski's Rule of Five, Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-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-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
The CAS number of Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate is 391874-91-2.
What is the molecular formula of Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
The molecular formula of Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate is C14H13ClFN3O3S2.
What is the molecular weight of Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
The molecular weight of Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate is 389.01 g/mol.
Where can I buy Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
You can request a quote for Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-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-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(2-chloro-6-fluorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.