Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-
TL;DR: Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- (CAS 134221-17-3) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitro-4-pentoxyphenyl)ethanone
Also Known As: 4-Amyloxy-3-nitroacetophenone, Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-, 1-(3-nitro-4-pentoxyphenyl)ethanone, 1-(4-Pentoxy-3-nitrophenyl)ethanal, 1-[3-nitro-4-(pentyloxy)phenyl]ethan-1-one
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 3.3664 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 442.61743 |
Chemical Identifiers
| CAS Number | 134221-17-3 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-] |
Product Overview
Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- (CAS 134221-17-3), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 1-(3-nitro-4-pentoxyphenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-
Property Insights of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-
The XLogP value of 3.3664 indicates that Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- 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 Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-?
The CAS number of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- is 134221-17-3.
What is the molecular formula of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-?
The molecular formula of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- is C13H17NO4.
What is the molecular weight of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-?
The molecular weight of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- is 251.12 g/mol.
Where can I buy Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-?
You can request a quote for Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.