![Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate structure](/static/products/899/899731-34-1.png)
Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate
TL;DR: Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate (CAS 899731-34-1) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate
Also Known As: butyl 4-(4-ethyl-1,2,3-thiadiazole-5-amido)benzoate, VU0499299-1, F2793-0175, butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate, butyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.3097 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 667.4649 |
Chemical Identifiers
| CAS Number | 899731-34-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)CC |
Product Overview
Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate (CAS 899731-34-1), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate
Property Insights of Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate
The XLogP value of 3.3097 indicates that Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate 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 Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate has 1 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 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate?
The CAS number of Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate is 899731-34-1.
What is the molecular formula of Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate?
The molecular formula of Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate is C16H19N3O3S.
What is the molecular weight of Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate?
The molecular weight of Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate is 333.11 g/mol.
Where can I buy Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate?
You can request a quote for Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.