5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde
TL;DR: 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde (CAS 85943-75-5) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-hydroxy-3-nitrobenzaldehyde
Also Known As: 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde, 5-tert-butyl-3-nitrosalicylaldehyde, 5-(tert-Butyl)-2-hydroxy-3-nitrobenzaldehyde, 5-tert-butyl-2-hydroxy-3-nitrobenzaldehyde, 2-Hydroxy-3-nitro-5-tert-butylbenzaldehyde
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.4104 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 446.03317 |
Chemical Identifiers
| CAS Number | 85943-75-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O |
Product Overview
5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde (CAS 85943-75-5), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 5-tert-butyl-2-hydroxy-3-nitrobenzaldehyde.
Chemical Property Profile of 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde
Property Insights of 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde
The XLogP value of 2.4104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde. Following Lipinski's Rule of Five, 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde 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-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde?
The CAS number of 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde is 85943-75-5.
What is the molecular formula of 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde?
The molecular formula of 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde is C11H13NO4.
What is the molecular weight of 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde?
The molecular weight of 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde is 223.08 g/mol.
Where can I buy 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde?
You can request a quote for 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.