5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde
TL;DR: 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde (CAS 886504-41-2) 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.
5-chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde
Also Known As: 5-chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde, 5-chloro-2-hydroxy-4-methyl-3-nitro-benzaldehyde, 3-Nitro-5-chlor-4-methyl-salicylaldehyd
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.07472 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 416.29257 |
Chemical Identifiers
| CAS Number | 886504-41-2 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Cl |
Product Overview
5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde (CAS 886504-41-2), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: 5-chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde.
Chemical Property Profile of 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde
Property Insights of 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde
The XLogP value of 2.07472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 5-Chloro-2-hydroxy-4-methyl-3-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 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde?
The CAS number of 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde is 886504-41-2.
What is the molecular formula of 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde?
The molecular formula of 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde is C8H6ClNO4.
What is the molecular weight of 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde?
The molecular weight of 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde is 215.00 g/mol.
Where can I buy 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde?
You can request a quote for 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.