3-Buten-2-one, 3-nitro-4-phenyl-, (E)-
TL;DR: 3-Buten-2-one, 3-nitro-4-phenyl-, (E)- (CAS 5311-39-7) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-nitro-4-phenylbut-3-en-2-one
Also Known As: (z)-beta-acetyl-beta-nitrostyrene, 3-nitro-4-phenylbut-3-en-2-one, (Z)-4-Phenyl-3-nitro-3-buten-2-one, -4-Phenyl-3-nitro-3-buten-2-one, (Z)-3-nitro-4-phenylbut-3-en-2-one
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.8932 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 365.6134 |
Chemical Identifiers
| CAS Number | 5311-39-7 |
|---|---|
| SMILES | CC(=O)/C(=C/C1=CC=CC=C1)/[N+](=O)[O-] |
Product Overview
3-Buten-2-one, 3-nitro-4-phenyl-, (E)- (CAS 5311-39-7), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: (Z)-3-nitro-4-phenylbut-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-
Property Insights of 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-
The XLogP value of 1.8932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-. Following Lipinski's Rule of Five, 3-Buten-2-one, 3-nitro-4-phenyl-, (E)- has 0 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 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-?
The CAS number of 3-Buten-2-one, 3-nitro-4-phenyl-, (E)- is 5311-39-7.
What is the molecular formula of 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-?
The molecular formula of 3-Buten-2-one, 3-nitro-4-phenyl-, (E)- is C10H9NO3.
What is the molecular weight of 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-?
The molecular weight of 3-Buten-2-one, 3-nitro-4-phenyl-, (E)- is 191.06 g/mol.
Where can I buy 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-?
You can request a quote for 3-Buten-2-one, 3-nitro-4-phenyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 3-nitro-4-phenyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 3-nitro-4-phenyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.