N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine
TL;DR: N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine (CAS 78915-46-5) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate
Also Known As: N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine, Sydnone imine, N-((((4-carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)-, 4-[[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate, RefChem:1099319, BRN 5797079
| Molecular Formula | C20H20N4O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 1.451 |
| Topological Polar Surface Area | 111.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.14847 |
| Heavy Atoms | 28 |
| Complexity | 938.35425 |
Chemical Identifiers
| CAS Number | 78915-46-5 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NCC3=CC=C(C=C3)C(=O)[O-] |
Product Overview
N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine (CAS 78915-46-5), with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol. IUPAC: 4-[[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate.
Chemical Property Profile of N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine
Property Insights of N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine
The XLogP value of 1.451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine. The TPSA of 111.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine. Following Lipinski's Rule of Five, N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine has 2 hydrogen bond donor(s) and 5 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 N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine?
The CAS number of N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine is 78915-46-5.
What is the molecular formula of N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine?
The molecular formula of N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine is C20H20N4O4.
What is the molecular weight of N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine?
The molecular weight of N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine is 380.15 g/mol.
Where can I buy N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine?
You can request a quote for N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine?
Yes, KEHONG BIO provides custom synthesis services for N-((((4-Carboxyphenyl)methyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.