Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-
TL;DR: Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- (CAS 67629-52-1) is a chemical compound with molecular formula C17H14Cl2N4O2 and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-N'-[3-(2-phenylethyl)oxadiazol-3-ium-5-yl]carbamimidate
Also Known As: Noname, Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-, N-((3,4-Dichlorophenyl)carbamoyl)-3-phenethylsydnone imine, (5E)-5-{[(3,4-dichlorophenyl)carbamoyl]imino}-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide, (E)-5-(((3,4-dichlorophenyl)carbamoyl)imino)-3-phenethyl-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
| Molecular Formula | C17H14Cl2N4O2 |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 2.9715 |
| Topological Polar Surface Area | 77.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.04938 |
| Heavy Atoms | 25 |
| Complexity | 881.3642 |
Chemical Identifiers
| CAS Number | 67629-52-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC[N+]2=NOC(=C2)/N=C(/NC3=CC(=C(C=C3)Cl)Cl)\[O-] |
Product Overview
Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- (CAS 67629-52-1), with molecular formula C17H14Cl2N4O2 and molecular weight 376.05 g/mol. IUPAC: N-(3,4-dichlorophenyl)-N'-[3-(2-phenylethyl)oxadiazol-3-ium-5-yl]carbamimidate.
Chemical Property Profile of Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-
Property Insights of Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-
The XLogP value of 2.9715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-. The TPSA of 77.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-. Following Lipinski's Rule of Five, Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- 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-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-?
The CAS number of Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- is 67629-52-1.
What is the molecular formula of Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-?
The molecular formula of Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- is C17H14Cl2N4O2.
What is the molecular weight of Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-?
The molecular weight of Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- is 376.05 g/mol.
Where can I buy Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-?
You can request a quote for Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- 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-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, N-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.