Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-
TL;DR: Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- (CAS 56911-72-9) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-hydroxy-5-nitrobenzoic acid
Also Known As: 3-Ethyl-2-hydroxy-5-nitrobenzoic acid, 5-Nitro-2-hydroxy-3-aethylbenzoesaeure, BENZOIC ACID, 3-ETHYL-2-HYDROXY-5-NITRO-, 5-Nitro-2-hydroxy-3-aethylbenzoesaeure [German], BRN 2586902
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 56911-72-9 |
|---|---|
| SMILES | CCC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)O |
| InChIKey | HCTUJBJPTSWPHQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- (CAS 56911-72-9), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 3-ethyl-2-hydroxy-5-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-
Property Insights of Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- has 2 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 Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-?
The CAS number of Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- is 56911-72-9.
What is the molecular formula of Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-?
The molecular formula of Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- is C9H9NO5.
What is the molecular weight of Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-?
The molecular weight of Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- is 211.05 g/mol.
Where can I buy Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-?
You can request a quote for Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-ethyl-2-hydroxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-ethyl-2-hydroxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.