5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
TL;DR: 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 17583-78-7) is a chemical compound with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-amine chloride
Also Known As: 3-(alpha-Methylphenethyl)-4-phenylsydnone imine monohydrochloride, 3-(beta-Phenylisopropyl)-4-phenylsydnonimine hydrochloride, Sydnone imine, 3-(alpha-methylphenethyl)-4-phenyl-, monohydrochloride, 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride, 4-phenyl-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-amine chloride
| Molecular Formula | C17H18ClN3O |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 0.019 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.11383 |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 17583-78-7 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[N+]2=NOC(=C2C3=CC=CC=C3)N.[Cl-] |
| InChIKey | RDHMGVRURBLYOI-UHFFFAOYSA-M |
Product Overview
5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 17583-78-7), with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol. IUPAC: 4-phenyl-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-amine chloride.
Chemical Property Profile of 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
Property Insights of 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride
The XLogP value of 0.019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride. With a topological polar surface area (TPSA) of 55.9 Ų, 5-Amino-4-phenyl-3-(1-phenylpropan-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-4-phenyl-3-(1-phenylpropan-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-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The CAS number of 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is 17583-78-7.
What is the molecular formula of 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular formula of 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is C17H18ClN3O.
What is the molecular weight of 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular weight of 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride is 315.11 g/mol.
Where can I buy 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
You can request a quote for 5-Amino-4-phenyl-3-(1-phenylpropan-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-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-phenyl-3-(1-phenylpropan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.