Sydnone imine, 3-isopropyl-, monohydrochloride
TL;DR: Sydnone imine, 3-isopropyl-, monohydrochloride (CAS 5123-98-8) is a chemical compound with molecular formula C5H10ClN3O and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yloxadiazol-3-ium-5-amine chloride
Also Known As: 3-Isopropylsydnone imine hydrochloride, AI3-61268, Sydnone imine, 3-isopropyl-, monohydrochloride, 3-propan-2-yloxadiazol-3-ium-5-amine chloride, Sydnone imine, 3-(1-methylethyl)-, monohydrochloride
| Molecular Formula | C5H10ClN3O |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | -2.8708 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.05124 |
| Heavy Atoms | 10 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 5123-98-8 |
|---|---|
| SMILES | CC(C)[N+]1=NOC(=C1)N.[Cl-] |
| InChIKey | VWFKBBVQLMSINJ-UHFFFAOYSA-M |
Product Overview
Sydnone imine, 3-isopropyl-, monohydrochloride (CAS 5123-98-8), with molecular formula C5H10ClN3O and molecular weight 163.05 g/mol. IUPAC: 3-propan-2-yloxadiazol-3-ium-5-amine chloride.
Chemical Property Profile of Sydnone imine, 3-isopropyl-, monohydrochloride
Property Insights of Sydnone imine, 3-isopropyl-, monohydrochloride
The XLogP value of -2.8708 indicates that Sydnone imine, 3-isopropyl-, monohydrochloride 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, Sydnone imine, 3-isopropyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sydnone imine, 3-isopropyl-, monohydrochloride 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 Sydnone imine, 3-isopropyl-, monohydrochloride?
The CAS number of Sydnone imine, 3-isopropyl-, monohydrochloride is 5123-98-8.
What is the molecular formula of Sydnone imine, 3-isopropyl-, monohydrochloride?
The molecular formula of Sydnone imine, 3-isopropyl-, monohydrochloride is C5H10ClN3O.
What is the molecular weight of Sydnone imine, 3-isopropyl-, monohydrochloride?
The molecular weight of Sydnone imine, 3-isopropyl-, monohydrochloride is 163.05 g/mol.
Where can I buy Sydnone imine, 3-isopropyl-, monohydrochloride?
You can request a quote for Sydnone imine, 3-isopropyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone imine, 3-isopropyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, 3-isopropyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.