Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-
TL;DR: Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro- (CAS 54812-32-7) is a chemical compound with molecular formula C9H10NO8P and molecular weight 291.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-dimethoxyphosphoryloxy-2-nitrobenzoic acid
Also Known As: Carboxysumioxon, Carboxyfenitrooxon, 3-Carboxyfenitrooxon, 5-dimethoxyphosphoryloxy-2-nitrobenzoic acid, 5-((Dimethoxyphosphinyl)oxy)-2-nitrobenzoic acid
| Molecular Formula | C9H10NO8P |
|---|---|
| Molecular Weight | 291.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.0144 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 54812-32-7 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | IWXBJJJCQFKPRI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro- (CAS 54812-32-7), with molecular formula C9H10NO8P and molecular weight 291.01 g/mol. IUPAC: 5-dimethoxyphosphoryloxy-2-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-
Property Insights of Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro- has 1 hydrogen bond donor(s) and 8 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, 5-((dimethoxyphosphinyl)oxy)-2-nitro-?
The CAS number of Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro- is 54812-32-7.
What is the molecular formula of Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-?
The molecular formula of Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro- is C9H10NO8P.
What is the molecular weight of Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-?
The molecular weight of Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro- is 291.01 g/mol.
Where can I buy Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro-?
You can request a quote for Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-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, 5-((dimethoxyphosphinyl)oxy)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-((dimethoxyphosphinyl)oxy)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.