3-(4-Nitrophenoxy)butan-2-one
TL;DR: 3-(4-Nitrophenoxy)butan-2-one (CAS 31707-98-9) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenoxy)butan-2-one
Also Known As: 3-(4-nitrophenoxy)butan-2-one, 3-(4-nitrophenoxy)-2-butanone, 3-(4-nitrophenoxy)-butan-2-one
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.9511 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 371.5137 |
Chemical Identifiers
| CAS Number | 31707-98-9 |
|---|---|
| SMILES | CC(C(=O)C)OC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenoxy)butan-2-one (CAS 31707-98-9), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 3-(4-nitrophenoxy)butan-2-one.
Chemical Property Profile of 3-(4-Nitrophenoxy)butan-2-one
Property Insights of 3-(4-Nitrophenoxy)butan-2-one
The XLogP value of 1.9511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenoxy)butan-2-one. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenoxy)butan-2-one. Following Lipinski's Rule of Five, 3-(4-Nitrophenoxy)butan-2-one has 0 hydrogen bond donor(s) and 4 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 3-(4-Nitrophenoxy)butan-2-one?
The CAS number of 3-(4-Nitrophenoxy)butan-2-one is 31707-98-9.
What is the molecular formula of 3-(4-Nitrophenoxy)butan-2-one?
The molecular formula of 3-(4-Nitrophenoxy)butan-2-one is C10H11NO4.
What is the molecular weight of 3-(4-Nitrophenoxy)butan-2-one?
The molecular weight of 3-(4-Nitrophenoxy)butan-2-one is 209.07 g/mol.
Where can I buy 3-(4-Nitrophenoxy)butan-2-one?
You can request a quote for 3-(4-Nitrophenoxy)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenoxy)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenoxy)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.