Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride
TL;DR: Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride (CAS 30066-67-2) is a chemical compound with molecular formula C11H14ClN3O2 and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-iminocyclohexa-1,3-dien-1-yl)-3-propan-2-yloxadiazol-3-ium-5-olate;hydrochloride
Also Known As: 3-Isopropyl-4-phenylsydnone imine hydrochloride, Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride, 4-(6-iminocyclohexa-1,3-dien-1-yl)-3-propan-2-yloxadiazol-3-ium-5-olate hydrochloride, RefChem:1099315
| Molecular Formula | C11H14ClN3O2 |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 1.40147 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.07745 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 30066-67-2 |
|---|---|
| SMILES | CC(C)[N+]1=NOC(=C1C2=CC=CCC2=N)[O-].Cl |
| InChIKey | ACYDNWUVANWUPG-UHFFFAOYSA-N |
Product Overview
Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride (CAS 30066-67-2), with molecular formula C11H14ClN3O2 and molecular weight 255.08 g/mol. IUPAC: 4-(6-iminocyclohexa-1,3-dien-1-yl)-3-propan-2-yloxadiazol-3-ium-5-olate;hydrochloride.
Chemical Property Profile of Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride
Property Insights of Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride
The XLogP value of 1.40147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride. Following Lipinski's Rule of Five, Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride has 2 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-4-phenyl-, monohydrochloride?
The CAS number of Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride is 30066-67-2.
What is the molecular formula of Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride?
The molecular formula of Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride is C11H14ClN3O2.
What is the molecular weight of Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride?
The molecular weight of Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride is 255.08 g/mol.
Where can I buy Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride?
You can request a quote for Sydnone imine, 3-isopropyl-4-phenyl-, 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-4-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, 3-isopropyl-4-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.