![1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione structure](/static/products/720/72045-16-0.png)
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione
TL;DR: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione (CAS 72045-16-0) is a chemical compound with molecular formula C17H17N3O7 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione
Also Known As: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione, 1-(2-Deoxypentofuranosyl)-5-[(E)-2-(3-nitrophenyl)ethen-1-yl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C17H17N3O7 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 0.2559 |
| Topological Polar Surface Area | 147.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.10666 |
| Heavy Atoms | 27 |
| Complexity | 994.50696 |
Chemical Identifiers
| CAS Number | 72045-16-0 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=O)NC2=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])CO)O |
Product Overview
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione (CAS 72045-16-0), with molecular formula C17H17N3O7 and molecular weight 375.11 g/mol. IUPAC: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione
Property Insights of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione
The XLogP value of 0.2559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione. The TPSA of 147.69 Ų indicates high polarity, suggesting 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione has 3 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 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione?
The CAS number of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione is 72045-16-0.
What is the molecular formula of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione?
The molecular formula of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione is C17H17N3O7.
What is the molecular weight of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione?
The molecular weight of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione is 375.11 g/mol.
Where can I buy 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione?
You can request a quote for 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.