2-Nitrophenyl propanoate
TL;DR: 2-Nitrophenyl propanoate (CAS 197-74-0) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) propanoate
Also Known As: 2-nitrophenyl propanoate, (2-nitrophenyl) propanoate, nitrophenyl propionate, NCIOpen2_000715, RefChem:264355
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 197-74-0 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | VFRSWGDYQQLJLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenyl propanoate (CAS 197-74-0), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: (2-nitrophenyl) propanoate.
Chemical Property Profile of 2-Nitrophenyl propanoate
Property Insights of 2-Nitrophenyl propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenyl propanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl propanoate. Following Lipinski's Rule of Five, 2-Nitrophenyl propanoate 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-Nitrophenyl propanoate?
The CAS number of 2-Nitrophenyl propanoate is 197-74-0.
What is the molecular formula of 2-Nitrophenyl propanoate?
The molecular formula of 2-Nitrophenyl propanoate is C9H9NO4.
What is the molecular weight of 2-Nitrophenyl propanoate?
The molecular weight of 2-Nitrophenyl propanoate is 195.05 g/mol.
Where can I buy 2-Nitrophenyl propanoate?
You can request a quote for 2-Nitrophenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.