4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol)
TL;DR: 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) (CAS 41172-51-4) is a chemical compound with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-hydroxy-3-nitrophenyl)hexan-3-yl]-2-nitrophenol
Also Known As: 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol), 4-[4-(4-hydroxy-3-nitrophenyl)hexan-3-yl]-2-nitrophenol, 4,4 -(1,2-Diethyl-1,2-ethanediyl)bis(2-nitrophenol), Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis[2-nitro-, 4-[4-(4-hydroxy-3-nitro-phenyl)hexan-3-yl]-2-nitro-phenol
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 4.6016 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 766.9262 |
Chemical Identifiers
| CAS Number | 41172-51-4 |
|---|---|
| SMILES | CCC(C1=CC(=C(C=C1)O)[N+](=O)[O-])C(CC)C2=CC(=C(C=C2)O)[N+](=O)[O-] |
Product Overview
4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) (CAS 41172-51-4), with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol. IUPAC: 4-[4-(4-hydroxy-3-nitrophenyl)hexan-3-yl]-2-nitrophenol.
Chemical Property Profile of 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol)
Property Insights of 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol)
The XLogP value of 4.6016 indicates that 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol). Following Lipinski's Rule of Five, 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) has 2 hydrogen bond donor(s) and 6 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'-(Hexane-3,4-diyl)bis(2-nitrophenol)?
The CAS number of 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) is 41172-51-4.
What is the molecular formula of 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol)?
The molecular formula of 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) is C18H20N2O6.
What is the molecular weight of 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol)?
The molecular weight of 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) is 360.13 g/mol.
Where can I buy 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol)?
You can request a quote for 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Hexane-3,4-diyl)bis(2-nitrophenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.