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Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate
TL;DR: Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate (CAS 650594-62-0) is a chemical compound with molecular formula C12H11BrN4O3S and molecular weight 369.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[(5-bromopyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]acetate
Also Known As: ethyl 2-(5-(5-bromonicotinamido)-1,3,4-thiadiazol-2-yl)acetate, ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate, ethyl 2-[5-[(5-bromopyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]acetate
| Molecular Formula | C12H11BrN4O3S |
|---|---|
| Molecular Weight | 369.97 g/mol |
| LogP | 2.0535 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.9735 |
| Heavy Atoms | 21 |
| Complexity | 661.45703 |
Chemical Identifiers
| CAS Number | 650594-62-0 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC(=CN=C2)Br |
Product Overview
Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate (CAS 650594-62-0), with molecular formula C12H11BrN4O3S and molecular weight 369.97 g/mol. IUPAC: ethyl 2-[5-[(5-bromopyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate
Property Insights of Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate
The XLogP value of 2.0535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate. The TPSA of 94.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)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 Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate?
The CAS number of Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate is 650594-62-0.
What is the molecular formula of Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate?
The molecular formula of Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate is C12H11BrN4O3S.
What is the molecular weight of Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate?
The molecular weight of Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate is 369.97 g/mol.
Where can I buy Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate?
You can request a quote for Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-{[(5-bromopyridin-3-yl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.