2-Nitropropyl benzoate
TL;DR: 2-Nitropropyl benzoate (CAS 6298-76-6) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitropropyl benzoate
Also Known As: 2-nitropropyl benzoate, 1-Propanol,2-nitro-,1-benzoate, 1-Propanol,2-nitro-, 1-benzoate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 6298-76-6 |
|---|---|
| SMILES | CC(COC(=O)C1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | KSAIPBINPVHIPW-UHFFFAOYSA-N |
Product Overview
2-Nitropropyl benzoate (CAS 6298-76-6), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2-nitropropyl benzoate.
Chemical Property Profile of 2-Nitropropyl benzoate
Property Insights of 2-Nitropropyl benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitropropyl benzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitropropyl benzoate. Following Lipinski's Rule of Five, 2-Nitropropyl benzoate has 0 hydrogen bond donor(s) and 4 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-Nitropropyl benzoate?
The CAS number of 2-Nitropropyl benzoate is 6298-76-6.
What is the molecular formula of 2-Nitropropyl benzoate?
The molecular formula of 2-Nitropropyl benzoate is C10H11NO4.
What is the molecular weight of 2-Nitropropyl benzoate?
The molecular weight of 2-Nitropropyl benzoate is 209.07 g/mol.
Where can I buy 2-Nitropropyl benzoate?
You can request a quote for 2-Nitropropyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitropropyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitropropyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.