C17H10ClN3O7
TL;DR: C17H10ClN3O7 (CAS 824946-31-8) 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.
2-chloro-4-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid
Also Known As: (E)-2-chloro-4-(5-(2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)vinyl)furan-2-yl)benzoic acid, 2-chloro-4-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid, 2-chloro-4-[5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furyl]benzoic Acid, 2-chloro-4-{5-[(E)-2-(4,6-dihydroxy-5-nitropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid, 2-chloro-4-{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 | 824946-31-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)Cl)C(=O)O |
Product Overview
C17H10ClN3O7 (CAS 824946-31-8), with molecular formula C17H10ClN3O7 and molecular weight 403.02 g/mol. IUPAC: 2-chloro-4-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid.
Chemical Property Profile of C17H10ClN3O7
Property Insights of C17H10ClN3O7
The XLogP value of 3.1657 indicates that C17H10ClN3O7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.56 Ų indicates high polarity, suggesting C17H10ClN3O7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H10ClN3O7 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 C17H10ClN3O7?
The CAS number of C17H10ClN3O7 is 824946-31-8.
What is the molecular formula of C17H10ClN3O7?
The molecular formula of C17H10ClN3O7 is C17H10ClN3O7.
What is the molecular weight of C17H10ClN3O7?
The molecular weight of C17H10ClN3O7 is 403.02 g/mol.
Where can I buy C17H10ClN3O7?
You can request a quote for C17H10ClN3O7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H10ClN3O7?
Yes, KEHONG BIO provides custom synthesis services for C17H10ClN3O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.