4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
TL;DR: 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 29836-64-4) is a chemical compound with molecular formula C11H20ClN3O and molecular weight 245.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-5-propan-2-yloxadiazol-3-ium-4-amine chloride
Also Known As: 3-Cyclohexyl-4-isopropylsydnone imine hydrochloride, Sydnone imine, 3-cyclohexyl-4-isopropyl-, monohydrochloride, 3-cyclohexyl-5-propan-2-yloxadiazol-3-ium-4-amine chloride, 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride, RefChem:1070259
| Molecular Formula | C11H20ClN3O |
|---|---|
| Molecular Weight | 245.13 g/mol |
| LogP | -0.8231 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.12949 |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 29836-64-4 |
|---|---|
| SMILES | CC(C)C1=C([N+](=NO1)C2CCCCC2)N.[Cl-] |
| InChIKey | YXYDEULQUGBVJA-UHFFFAOYSA-M |
Product Overview
4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 29836-64-4), with molecular formula C11H20ClN3O and molecular weight 245.13 g/mol. IUPAC: 3-cyclohexyl-5-propan-2-yloxadiazol-3-ium-4-amine chloride.
Chemical Property Profile of 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
Property Insights of 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
The XLogP value of -0.8231 indicates that 4-Amino-3-cyclohexyl-5-(propan-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, 4-Amino-3-cyclohexyl-5-(propan-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, 4-Amino-3-cyclohexyl-5-(propan-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 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The CAS number of 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is 29836-64-4.
What is the molecular formula of 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular formula of 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is C11H20ClN3O.
What is the molecular weight of 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular weight of 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is 245.13 g/mol.
Where can I buy 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
You can request a quote for 4-Amino-3-cyclohexyl-5-(propan-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 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-cyclohexyl-5-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.