Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-
TL;DR: Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- (CAS 57778-17-3) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-methyl-N-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate
Also Known As: TBBz, N-((Methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine, Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-, N'-methyl-N-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate, METHYLIMINO-[[3-(1-PHENYLPROPAN-2-YL)-1-OXA-2-AZA-3-AZONIACYCLOPENTA-2,4-DIEN-5-YL]AMINO]METHANOLATE
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 0.5238 |
| Topological Polar Surface Area | 77.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 550.7807 |
Chemical Identifiers
| CAS Number | 57778-17-3 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=NC)[O-] |
Product Overview
Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- (CAS 57778-17-3), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: N'-methyl-N-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate.
Chemical Property Profile of Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-
Property Insights of Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-
The XLogP value of 0.5238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-. The TPSA of 77.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-. Following Lipinski's Rule of Five, Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- 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, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-?
The CAS number of Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- is 57778-17-3.
What is the molecular formula of Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-?
The molecular formula of Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- is C13H16N4O2.
What is the molecular weight of Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-?
The molecular weight of Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- is 260.13 g/mol.
Where can I buy Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-?
You can request a quote for Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, N-((methylamino)carbonyl)-3-(1-methyl-2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.