3-羟基-4-甲氧基-5-硝基苯甲醛
TL;DR: 3-羟基-4-甲氧基-5-硝基苯甲醛 (CAS 80547-69-9) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-4-甲氧基-5-硝基苯甲醛
3-hydroxy-4-methoxy-5-nitrobenzaldehyde
Also Known As: 3-Hydroxy-4-methoxy-5-nitrobenzaldehyde, Quinaldicacid, HMNB, Not Available, 5-Nitroisovanillin
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 80547-69-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1O)C=O)[N+](=O)[O-] |
| InChIKey | PYLFOUFNUBQBGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基-4-甲氧基-5-硝基苯甲醛 (CAS 80547-69-9), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 3-hydroxy-4-methoxy-5-nitrobenzaldehyde.
Chemical Property Profile of 3-羟基-4-甲氧基-5-硝基苯甲醛
Property Insights of 3-羟基-4-甲氧基-5-硝基苯甲醛
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基-4-甲氧基-5-硝基苯甲醛. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-羟基-4-甲氧基-5-硝基苯甲醛. Following Lipinski's Rule of Five, 3-羟基-4-甲氧基-5-硝基苯甲醛 has 1 hydrogen bond donor(s) and 5 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-羟基-4-甲氧基-5-硝基苯甲醛?
The CAS number of 3-羟基-4-甲氧基-5-硝基苯甲醛 is 80547-69-9.
What is the molecular formula of 3-羟基-4-甲氧基-5-硝基苯甲醛?
The molecular formula of 3-羟基-4-甲氧基-5-硝基苯甲醛 is C8H7NO5.
What is the molecular weight of 3-羟基-4-甲氧基-5-硝基苯甲醛?
The molecular weight of 3-羟基-4-甲氧基-5-硝基苯甲醛 is 197.03 g/mol.
Where can I buy 3-羟基-4-甲氧基-5-硝基苯甲醛?
You can request a quote for 3-羟基-4-甲氧基-5-硝基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-4-甲氧基-5-硝基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-4-甲氧基-5-硝基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.