2-(苄氧基)-4-硝基苯甲酸
TL;DR: 2-(苄氧基)-4-硝基苯甲酸 (CAS 58978-43-1) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(苄氧基)-4-硝基苯甲酸
4-nitro-2-phenylmethoxybenzoic acid
Also Known As: 2-(Benzyloxy)-4-nitrobenzoic acid, 4-nitro-2-phenylmethoxybenzoic acid, NIOSH/DG4340700, 4-Nitro-2-benzyloxybenzoic acid, 2-Benzyloxy-4-nitro-benzoesaeure
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 58978-43-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | LXYSQNGVLVKMDZ-UHFFFAOYSA-N |
Product Overview
2-(苄氧基)-4-硝基苯甲酸 (CAS 58978-43-1), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: 4-nitro-2-phenylmethoxybenzoic acid.
Chemical Property Profile of 2-(苄氧基)-4-硝基苯甲酸
Property Insights of 2-(苄氧基)-4-硝基苯甲酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(苄氧基)-4-硝基苯甲酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(苄氧基)-4-硝基苯甲酸. Following Lipinski's Rule of Five, 2-(苄氧基)-4-硝基苯甲酸 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 2-(苄氧基)-4-硝基苯甲酸?
The CAS number of 2-(苄氧基)-4-硝基苯甲酸 is 58978-43-1.
What is the molecular formula of 2-(苄氧基)-4-硝基苯甲酸?
The molecular formula of 2-(苄氧基)-4-硝基苯甲酸 is C14H11NO5.
What is the molecular weight of 2-(苄氧基)-4-硝基苯甲酸?
The molecular weight of 2-(苄氧基)-4-硝基苯甲酸 is 273.06 g/mol.
Where can I buy 2-(苄氧基)-4-硝基苯甲酸?
You can request a quote for 2-(苄氧基)-4-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(苄氧基)-4-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(苄氧基)-4-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.