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Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate
TL;DR: Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate (CAS 419539-60-9) is a chemical compound with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 5-(phenylcarbamoylamino)thiadiazole-4-carboxylate
Also Known As: butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate, butyl 5-(phenylcarbamoylamino)thiadiazole-4-carboxylate, butyl 5-[(phenylcarbamoyl)amino]-1,2,3-thiadiazole-4-carboxylate, butyl5-[(phenylcarbamoyl)amino]-1,2,3-thiadiazole-4-carboxylate
| Molecular Formula | C14H16N4O3S |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 3.139 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.0943 |
| Heavy Atoms | 22 |
| Complexity | 630.028 |
Chemical Identifiers
| CAS Number | 419539-60-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=CC=C2 |
Product Overview
Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate (CAS 419539-60-9), with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol. IUPAC: butyl 5-(phenylcarbamoylamino)thiadiazole-4-carboxylate.
Chemical Property Profile of Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate
Property Insights of Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate
The XLogP value of 3.139 indicates that Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate. Following Lipinski's Rule of Five, Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate has 2 hydrogen bond donor(s) and 6 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 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate?
The CAS number of Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate is 419539-60-9.
What is the molecular formula of Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate?
The molecular formula of Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate is C14H16N4O3S.
What is the molecular weight of Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate?
The molecular weight of Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate is 320.09 g/mol.
Where can I buy Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate?
You can request a quote for Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-[(anilinocarbonyl)amino]-1,2,3-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.