(E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea
TL;DR: (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea (CAS 896839-49-9) is a chemical compound with molecular formula C12H16N4O5 and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-1-[(4E)-4-hydroxyiminopentan-2-yl]-3-(3-nitrophenyl)urea
Also Known As: (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea
| Molecular Formula | C12H16N4O5 |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 2.4466 |
| Topological Polar Surface Area | 128.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.11206 |
| Heavy Atoms | 21 |
| Complexity | 560.3337 |
Chemical Identifiers
| CAS Number | 896839-49-9 |
|---|---|
| SMILES | CC(C/C(=N/O)/C)N(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])O |
Product Overview
(E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea (CAS 896839-49-9), with molecular formula C12H16N4O5 and molecular weight 296.11 g/mol. IUPAC: 1-hydroxy-1-[(4E)-4-hydroxyiminopentan-2-yl]-3-(3-nitrophenyl)urea.
Chemical Property Profile of (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea
Property Insights of (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea
The XLogP value of 2.4466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea. The TPSA of 128.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea. Following Lipinski's Rule of Five, (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea has 3 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 (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea?
The CAS number of (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea is 896839-49-9.
What is the molecular formula of (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea?
The molecular formula of (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea is C12H16N4O5.
What is the molecular weight of (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea?
The molecular weight of (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea is 296.11 g/mol.
Where can I buy (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea?
You can request a quote for (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-hydroxy-1-(4-(hydroxyimino)pentan-2-yl)-3-(3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.