3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde
TL;DR: 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde (CAS 16644-30-7) is a chemical compound with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde
Also Known As: 3-Chloromethyl-5-nitrosalicylaldehyde, 3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde, Salicylaldehyde, 3-chloromethyl-5-nitro-, Benzaldehyde, 3-(chloromethyl)-2-hydroxy-5-nitro-, 3-Chloropropylmethyldimethoxysilane
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 16644-30-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CCl)O)C=O)[N+](=O)[O-] |
| InChIKey | VPZKJFJWKLYFQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde (CAS 16644-30-7), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: 3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde.
Chemical Property Profile of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde
Property Insights of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde 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 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde?
The CAS number of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde is 16644-30-7.
What is the molecular formula of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde?
The molecular formula of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde is C8H6ClNO4.
What is the molecular weight of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde?
The molecular weight of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde is 215.00 g/mol.
Where can I buy 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde?
You can request a quote for 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.