(E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid
TL;DR: (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid (CAS 810695-34-2) is a chemical compound with molecular formula C17H10ClN3O7 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid
Also Known As: (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid, 3-{5-[(1E)-2-(6-hydroxy-5-nitro-4-oxo(3-hydropyrimidin-2-yl))vinyl](2-furyl)}- 4-chlorobenzoic acid, 4-chloro-3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid, 4-chloro-3-[5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furyl]benzoic Acid, 4-chloro-3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid
| Molecular Formula | C17H10ClN3O7 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 3.1657 |
| Topological Polar Surface Area | 159.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.02072 |
| Heavy Atoms | 28 |
| Complexity | 1179.7344 |
Chemical Identifiers
| CAS Number | 810695-34-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)Cl |
Product Overview
(E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid (CAS 810695-34-2), with molecular formula C17H10ClN3O7 and molecular weight 403.02 g/mol. IUPAC: 4-chloro-3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid
Property Insights of (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid
The XLogP value of 3.1657 indicates that (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.56 Ų indicates high polarity, suggesting (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid 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 (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid?
The CAS number of (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid is 810695-34-2.
What is the molecular formula of (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid?
The molecular formula of (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid is C17H10ClN3O7.
What is the molecular weight of (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid?
The molecular weight of (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid is 403.02 g/mol.
Where can I buy (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid?
You can request a quote for (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-chloro-3-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.