4-Nitrobenzenebutanol
TL;DR: 4-Nitrobenzenebutanol (CAS 79524-20-2) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)butan-1-ol
Also Known As: 4-(4-Nitrophenyl)-1-butanol, 4-(4-Nitrophenyl)butan-1-ol, 4-Nitro-benzenebutanol, 4-Nitrobenzenebutanol, Benzenebutanol, 4-nitro-
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 79524-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCCO)[N+](=O)[O-] |
| InChIKey | MFYJBAQONVFIFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzenebutanol (CAS 79524-20-2), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 4-(4-nitrophenyl)butan-1-ol.
Chemical Property Profile of 4-Nitrobenzenebutanol
Property Insights of 4-Nitrobenzenebutanol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzenebutanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzenebutanol. Following Lipinski's Rule of Five, 4-Nitrobenzenebutanol has 1 hydrogen bond donor(s) and 3 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-Nitrobenzenebutanol?
The CAS number of 4-Nitrobenzenebutanol is 79524-20-2.
What is the molecular formula of 4-Nitrobenzenebutanol?
The molecular formula of 4-Nitrobenzenebutanol is C10H13NO3.
What is the molecular weight of 4-Nitrobenzenebutanol?
The molecular weight of 4-Nitrobenzenebutanol is 195.09 g/mol.
Where can I buy 4-Nitrobenzenebutanol?
You can request a quote for 4-Nitrobenzenebutanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzenebutanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzenebutanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.