5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
TL;DR: 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 18430-29-0) is a chemical compound with molecular formula C6H12ClN3O and molecular weight 177.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butan-2-yloxadiazol-3-ium-5-amine chloride
Also Known As: 3-sec-Butyl sydnone imine hydrochloride, Sydnone imine, 3-sec-butyl-, hydrochloride, 3-butan-2-yloxadiazol-3-ium-5-amine chloride, 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride, RefChem:1072622
| Molecular Formula | C6H12ClN3O |
|---|---|
| Molecular Weight | 177.07 g/mol |
| LogP | -2.4807 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.0669 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 18430-29-0 |
|---|---|
| SMILES | CCC(C)[N+]1=NOC(=C1)N.[Cl-] |
| InChIKey | KUKDLUDOZZPTCS-UHFFFAOYSA-M |
Product Overview
5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 18430-29-0), with molecular formula C6H12ClN3O and molecular weight 177.07 g/mol. IUPAC: 3-butan-2-yloxadiazol-3-ium-5-amine chloride.
Chemical Property Profile of 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
Property Insights of 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
The XLogP value of -2.4807 indicates that 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.9 Ų, 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride has 1 hydrogen bond donor(s) and 4 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 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The CAS number of 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is 18430-29-0.
What is the molecular formula of 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular formula of 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is C6H12ClN3O.
What is the molecular weight of 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular weight of 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is 177.07 g/mol.
Where can I buy 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
You can request a quote for 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-(butan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.