4-Nitro-3-pentadecylphenol
TL;DR: 4-Nitro-3-pentadecylphenol (CAS 22991-47-5) is a chemical compound with molecular formula C21H35NO3 and molecular weight 349.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-pentadecylphenol
Also Known As: 4-nitro-3-pentadecylphenol, 3-Pentadecyl-4-nitrophenol, 4-nitro-3-pentadecyl phenol, phenol, 4-nitro-3-pentadecyl-, J2.329.627F
| Molecular Formula | C21H35NO3 |
|---|---|
| Molecular Weight | 349.26 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 349.2617 |
| Heavy Atoms | 25 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 22991-47-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)[N+](=O)[O-] |
| InChIKey | FMCPBIUWCHGIMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-3-pentadecylphenol (CAS 22991-47-5), with molecular formula C21H35NO3 and molecular weight 349.26 g/mol. IUPAC: 4-nitro-3-pentadecylphenol.
Chemical Property Profile of 4-Nitro-3-pentadecylphenol
Property Insights of 4-Nitro-3-pentadecylphenol
The XLogP value of 10.0 indicates that 4-Nitro-3-pentadecylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-pentadecylphenol. Following Lipinski's Rule of Five, 4-Nitro-3-pentadecylphenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitro-3-pentadecylphenol?
The CAS number of 4-Nitro-3-pentadecylphenol is 22991-47-5.
What is the molecular formula of 4-Nitro-3-pentadecylphenol?
The molecular formula of 4-Nitro-3-pentadecylphenol is C21H35NO3.
What is the molecular weight of 4-Nitro-3-pentadecylphenol?
The molecular weight of 4-Nitro-3-pentadecylphenol is 349.26 g/mol.
Where can I buy 4-Nitro-3-pentadecylphenol?
You can request a quote for 4-Nitro-3-pentadecylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-pentadecylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-pentadecylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.