Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate
TL;DR: Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate (CAS 664307-46-4) is a chemical compound with molecular formula C13H21BrN2O2S and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate
Also Known As: decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate, AF-407/41275741
| Molecular Formula | C13H21BrN2O2S |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 4.5981 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 348.05072 |
| Heavy Atoms | 19 |
| Complexity | 371.28012 |
Chemical Identifiers
| CAS Number | 664307-46-4 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=NSN=C1Br |
Product Overview
Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate (CAS 664307-46-4), with molecular formula C13H21BrN2O2S and molecular weight 348.05 g/mol. IUPAC: decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate.
Chemical Property Profile of Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate
Property Insights of Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate
The XLogP value of 4.5981 indicates that Decyl 4-bromo-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, Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 4-bromo-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 Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate?
The CAS number of Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate is 664307-46-4.
What is the molecular formula of Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate?
The molecular formula of Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate is C13H21BrN2O2S.
What is the molecular weight of Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate?
The molecular weight of Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate is 348.05 g/mol.
Where can I buy Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate?
You can request a quote for Decyl 4-bromo-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 Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 4-bromo-1,2,5-thiadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.