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2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯
TL;DR: 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 (CAS 302606-04-8) is a chemical compound with molecular formula C14H11NO6 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯
[3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate
Also Known As: [3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate|Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester|J1.359.996C|3-[(NITROOXY)METHYL]PHENYL 2-HYDROXYBENZOATE|Nitric acid 3-(2-hydroxybenzoyloxy)benzyl ester
| Molecular Formula | C14H11NO6 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.05862 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 302606-04-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])O |
| InChIKey | MKYGMVOKULQJBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 (CAS 302606-04-8), with molecular formula C14H11NO6 and molecular weight 289.06 g/mol. IUPAC: [3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate.
Chemical Property Profile of 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯
Property Insights of 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯
The XLogP value of 4.0 indicates that 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯. Following Lipinski's Rule of Five, 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 has 1 hydrogen bond donor(s) and 6 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 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯?
The CAS number of 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 is 302606-04-8.
What is the molecular formula of 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯?
The molecular formula of 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 is C14H11NO6.
What is the molecular weight of 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯?
The molecular weight of 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 is 289.06 g/mol.
Where can I buy 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯?
You can request a quote for 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基苯甲酸3-[(硝基氧基)甲基]苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.