(2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal
TL;DR: (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal (CAS 429641-57-6) is a chemical compound with molecular formula C10H8ClNO4 and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal
Also Known As: (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal, 3-(5-Chloro-2-hydroxy-3-nitro-phenyl)-2-methyl-propenal, 3-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-methyl-prop-2-enal, (E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal
| Molecular Formula | C10H8ClNO4 |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | 2.556 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.01419 |
| Heavy Atoms | 16 |
| Complexity | 481.9525 |
Chemical Identifiers
| CAS Number | 429641-57-6 |
|---|---|
| SMILES | C/C(=C\C1=C(C(=CC(=C1)Cl)[N+](=O)[O-])O)/C=O |
Product Overview
(2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal (CAS 429641-57-6), with molecular formula C10H8ClNO4 and molecular weight 241.01 g/mol. IUPAC: (E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal.
Chemical Property Profile of (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal
Property Insights of (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal
The XLogP value of 2.556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal. Following Lipinski's Rule of Five, (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal has 1 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 (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal?
The CAS number of (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal is 429641-57-6.
What is the molecular formula of (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal?
The molecular formula of (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal is C10H8ClNO4.
What is the molecular weight of (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal?
The molecular weight of (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal is 241.01 g/mol.
Where can I buy (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal?
You can request a quote for (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.