3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde
TL;DR: 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde (CAS 886498-24-4) is a chemical compound with molecular formula C9H8BrNO4 and molecular weight 272.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-hydroxy-4,6-dimethyl-5-nitrobenzaldehyde
Also Known As: 3-bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde, 3-bromo-2-hydroxy-4,6-dimethyl-5-nitrobenzaldehyde
| Molecular Formula | C9H8BrNO4 |
|---|---|
| Molecular Weight | 272.96 g/mol |
| LogP | 2.49224 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.96368 |
| Heavy Atoms | 15 |
| Complexity | 456.16095 |
Chemical Identifiers
| CAS Number | 886498-24-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C)Br)O)C=O |
Product Overview
3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde (CAS 886498-24-4), with molecular formula C9H8BrNO4 and molecular weight 272.96 g/mol. IUPAC: 3-bromo-2-hydroxy-4,6-dimethyl-5-nitrobenzaldehyde.
Chemical Property Profile of 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde
Property Insights of 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde
The XLogP value of 2.49224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde. Following Lipinski's Rule of Five, 3-Bromo-2-hydroxy-4,6-dimethyl-5-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 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde?
The CAS number of 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde is 886498-24-4.
What is the molecular formula of 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde?
The molecular formula of 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde is C9H8BrNO4.
What is the molecular weight of 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde?
The molecular weight of 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde is 272.96 g/mol.
Where can I buy 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde?
You can request a quote for 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.