Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-
TL;DR: Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- (CAS 57778-20-8) is a chemical compound with molecular formula C18H17BrN4O2 and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate
Also Known As: Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-, N-((p-Bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)sydnone imine, (5E)-5-{[(4-bromophenyl)carbamoyl]imino}-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide, RefChem:1099332
| Molecular Formula | C18H17BrN4O2 |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 2.9882 |
| Topological Polar Surface Area | 77.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0535 |
| Heavy Atoms | 25 |
| Complexity | 847.02734 |
Chemical Identifiers
| CAS Number | 57778-20-8 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=C(C=C3)Br)\[O-] |
Product Overview
Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- (CAS 57778-20-8), with molecular formula C18H17BrN4O2 and molecular weight 400.05 g/mol. IUPAC: N-(4-bromophenyl)-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate.
Chemical Property Profile of Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-
Property Insights of Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-
The XLogP value of 2.9882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-. The TPSA of 77.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-. Following Lipinski's Rule of Five, Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- 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-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-?
The CAS number of Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- is 57778-20-8.
What is the molecular formula of Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-?
The molecular formula of Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- is C18H17BrN4O2.
What is the molecular weight of Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-?
The molecular weight of Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- is 400.05 g/mol.
Where can I buy Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-?
You can request a quote for Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- 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-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, N-((p-bromophenyl)carbamoyl)-3-(alpha-methylphenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.