4-Nitrophenyl 2,3,3-trichloroprop-2-enoate
TL;DR: 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate (CAS 22359-45-1) is a chemical compound with molecular formula C9H4Cl3NO4 and molecular weight 294.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2,3,3-trichloroprop-2-enoate
Also Known As: p-Nitrophenyl-trichloracrylat, 4-nitrophenyl 2,3,3-trichloroprop-2-enoate, (4-nitrophenyl) 2,3,3-trichloroprop-2-enoate, 2-Propenoic acid,2,3,3-trichloro-, 4-nitrophenyl ester
| Molecular Formula | C9H4Cl3NO4 |
|---|---|
| Molecular Weight | 294.92 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9206 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 22359-45-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(=C(Cl)Cl)Cl |
| InChIKey | CIYHIVGZSBCLRL-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl 2,3,3-trichloroprop-2-enoate (CAS 22359-45-1), with molecular formula C9H4Cl3NO4 and molecular weight 294.92 g/mol. IUPAC: (4-nitrophenyl) 2,3,3-trichloroprop-2-enoate.
Chemical Property Profile of 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate
Property Insights of 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate
The XLogP value of 4.0 indicates that 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate 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 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate?
The CAS number of 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate is 22359-45-1.
What is the molecular formula of 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate?
The molecular formula of 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate is C9H4Cl3NO4.
What is the molecular weight of 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate?
The molecular weight of 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate is 294.92 g/mol.
Where can I buy 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate?
You can request a quote for 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 2,3,3-trichloroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.