4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate
TL;DR: 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate (CAS 695176-73-9) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 1,2,5-thiadiazole-3-carboxylate
Also Known As: 4-tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate, (4-tert-butylphenyl) 1,2,5-thiadiazole-3-carboxylate, AH-487/42194525, 4-(tert-butyl)phenyl 1,2,5-thiadiazole-3-carboxylate
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 3.0548 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 527.11896 |
Chemical Identifiers
| CAS Number | 695176-73-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=NSN=C2 |
Product Overview
4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate (CAS 695176-73-9), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: (4-tert-butylphenyl) 1,2,5-thiadiazole-3-carboxylate.
Chemical Property Profile of 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate
Property Insights of 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate
The XLogP value of 3.0548 indicates that 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate?
The CAS number of 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate is 695176-73-9.
What is the molecular formula of 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate?
The molecular formula of 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate is C13H14N2O2S.
What is the molecular weight of 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate?
The molecular weight of 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate is 262.08 g/mol.
Where can I buy 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate?
You can request a quote for 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylphenyl 1,2,5-thiadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.