3-Butenamide,N,N-diethyl-3-methyl-4-phenyl
TL;DR: 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl (CAS 58459-34-0) is a chemical compound with molecular formula C18H21N3O9 and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(cyanomethyl)-3-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]imidazole-4-carboxylate
Also Known As: 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl, methyl 5-(cyanomethyl)-3-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]imidazole-4-carboxylate, Methyl 4-(cyanomethyl)-1-(2,3,5-tri-O-acetylpentofuranosyl)-1H-imidazole-5-carboxylate
| Molecular Formula | C18H21N3O9 |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 423.12778 |
| Heavy Atoms | 30 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 58459-34-0 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC(=C2C(=O)OC)CC#N)OC(=O)C)OC(=O)C |
| InChIKey | KSRXYRHJDUZLOJ-UHFFFAOYSA-N |
Product Overview
3-Butenamide,N,N-diethyl-3-methyl-4-phenyl (CAS 58459-34-0), with molecular formula C18H21N3O9 and molecular weight 423.13 g/mol. IUPAC: methyl 5-(cyanomethyl)-3-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]imidazole-4-carboxylate.
Chemical Property Profile of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl
Property Insights of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl
The XLogP value of -0.5 indicates that 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl?
The CAS number of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl is 58459-34-0.
What is the molecular formula of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl?
The molecular formula of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl is C18H21N3O9.
What is the molecular weight of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl?
The molecular weight of 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl is 423.13 g/mol.
Where can I buy 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl?
You can request a quote for 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.