4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid
TL;DR: 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid (CAS 14601-82-2) is a chemical compound with molecular formula C17H16N2O8 and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid
Also Known As: 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid, 3,3 -Dinitrodiphenolic acid, 4,4-bis(4-hydroxy-3-nitro-phenyl)pentanoic Acid, 4,4-bis-(4-hydroxy-3-nitrophenyl)-valeric acid, J1.339.914J
| Molecular Formula | C17H16N2O8 |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 3.085 |
| Topological Polar Surface Area | 164.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.09067 |
| Heavy Atoms | 27 |
| Complexity | 861.6446 |
Chemical Identifiers
| CAS Number | 14601-82-2 |
|---|---|
| SMILES | CC(CCC(=O)O)(C1=CC(=C(C=C1)O)[N+](=O)[O-])C2=CC(=C(C=C2)O)[N+](=O)[O-] |
Product Overview
4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid (CAS 14601-82-2), with molecular formula C17H16N2O8 and molecular weight 376.09 g/mol. IUPAC: 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid.
Chemical Property Profile of 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid
Property Insights of 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid
The XLogP value of 3.085 indicates that 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.04 Ų indicates high polarity, suggesting 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric 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 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid?
The CAS number of 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid is 14601-82-2.
What is the molecular formula of 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid?
The molecular formula of 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid is C17H16N2O8.
What is the molecular weight of 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid?
The molecular weight of 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid is 376.09 g/mol.
Where can I buy 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid?
You can request a quote for 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Bis-(4-hydroxy-3-nitrophenyl)-valeric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.