2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-
TL;DR: 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- (CAS 41501-63-7) is a chemical compound with molecular formula C9H5Cl2NO3 and molecular weight 244.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloro-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-, 3,3-dichloro-1-(4-nitrophenyl)prop-2-en-1-one, 2,2-dichlorovinyl 4-nitrophenyl ketone, BIM-0022451.P001, 3,3-dichloro-1-(4-nitrophenyl)-2-propen-1-one
| Molecular Formula | C9H5Cl2NO3 |
|---|---|
| Molecular Weight | 244.96 g/mol |
| LogP | 3.0965 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.96465 |
| Heavy Atoms | 15 |
| Complexity | 421.48853 |
Chemical Identifiers
| CAS Number | 41501-63-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=C(Cl)Cl)[N+](=O)[O-] |
Product Overview
2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- (CAS 41501-63-7), with molecular formula C9H5Cl2NO3 and molecular weight 244.96 g/mol. IUPAC: 3,3-dichloro-1-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-
Property Insights of 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-
The XLogP value of 3.0965 indicates that 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- 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 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-?
The CAS number of 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- is 41501-63-7.
What is the molecular formula of 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-?
The molecular formula of 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- is C9H5Cl2NO3.
What is the molecular weight of 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-?
The molecular weight of 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- is 244.96 g/mol.
Where can I buy 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-?
You can request a quote for 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 3,3-dichloro-1-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.