Sparsophenicol
TL;DR: Sparsophenicol (CAS 82647-22-1) is a chemical compound with molecular formula C17H18N4O7 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Also Known As: Sparsophenicol, (E)-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide, 2-Propenamide, N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (R-(R*,R*-(E)))-, (2E)-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide, (E)-N-[(1R,2R)-2-Hydroxy-1-hydroxymethyl-2-(4-nitrophenyl)ethyl]-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxopyrimidin-5-yl)acrylamide
| Molecular Formula | C17H18N4O7 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | -0.49628 |
| Topological Polar Surface Area | 178.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.11755 |
| Heavy Atoms | 28 |
| Complexity | 1007.40137 |
Chemical Identifiers
| CAS Number | 82647-22-1 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@H](CO)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O |
Product Overview
Sparsophenicol (CAS 82647-22-1), with molecular formula C17H18N4O7 and molecular weight 390.12 g/mol. IUPAC: (E)-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.
Chemical Property Profile of Sparsophenicol
Property Insights of Sparsophenicol
The XLogP value of -0.49628 indicates that Sparsophenicol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.42 Ų indicates high polarity, suggesting Sparsophenicol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sparsophenicol has 5 hydrogen bond donor(s) and 7 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 Sparsophenicol?
The CAS number of Sparsophenicol is 82647-22-1.
What is the molecular formula of Sparsophenicol?
The molecular formula of Sparsophenicol is C17H18N4O7.
What is the molecular weight of Sparsophenicol?
The molecular weight of Sparsophenicol is 390.12 g/mol.
Where can I buy Sparsophenicol?
You can request a quote for Sparsophenicol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sparsophenicol?
Yes, KEHONG BIO provides custom synthesis services for Sparsophenicol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.