3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-
TL;DR: 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- (CAS 289478-45-1) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-4-(4-nitrophenyl)but-3-en-2-one
Also Known As: 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-, 3-(chloromethyl)-4-(4-nitrophenyl)but-3-en-2-one
| Molecular Formula | C11H10ClNO3 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 2.806 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.03493 |
| Heavy Atoms | 16 |
| Complexity | 437.04782 |
Chemical Identifiers
| CAS Number | 289478-45-1 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])CCl |
Product Overview
3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- (CAS 289478-45-1), with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol. IUPAC: 3-(chloromethyl)-4-(4-nitrophenyl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-
Property Insights of 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-
The XLogP value of 2.806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-. Following Lipinski's Rule of Five, 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- 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-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-?
The CAS number of 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- is 289478-45-1.
What is the molecular formula of 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-?
The molecular formula of 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- is C11H10ClNO3.
What is the molecular weight of 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-?
The molecular weight of 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- is 239.03 g/mol.
Where can I buy 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-?
You can request a quote for 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- 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-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 3-(chloromethyl)-4-(4-nitrophenyl)-, (3Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.