2-Chloro-5-nitrocinnamaldehyde
TL;DR: 2-Chloro-5-nitrocinnamaldehyde (CAS 31368-60-2) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-5-nitrophenyl)prop-2-enal
Also Known As: 2-chloro-5-nitrocinnamaldehyde, 3-(2-chloro-5-nitrophenyl)prop-2-enal, (E)-3-(2-chloro-5-nitrophenyl)prop-2-enal
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.00362 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 31368-60-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C=CC=O)Cl |
| InChIKey | YGRWDGMIJOLYCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-nitrocinnamaldehyde (CAS 31368-60-2), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 3-(2-chloro-5-nitrophenyl)prop-2-enal.
Chemical Property Profile of 2-Chloro-5-nitrocinnamaldehyde
Property Insights of 2-Chloro-5-nitrocinnamaldehyde
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-nitrocinnamaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-nitrocinnamaldehyde. Following Lipinski's Rule of Five, 2-Chloro-5-nitrocinnamaldehyde 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-Chloro-5-nitrocinnamaldehyde?
The CAS number of 2-Chloro-5-nitrocinnamaldehyde is 31368-60-2.
What is the molecular formula of 2-Chloro-5-nitrocinnamaldehyde?
The molecular formula of 2-Chloro-5-nitrocinnamaldehyde is C9H6ClNO3.
What is the molecular weight of 2-Chloro-5-nitrocinnamaldehyde?
The molecular weight of 2-Chloro-5-nitrocinnamaldehyde is 211.00 g/mol.
Where can I buy 2-Chloro-5-nitrocinnamaldehyde?
You can request a quote for 2-Chloro-5-nitrocinnamaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-nitrocinnamaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-nitrocinnamaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.