m-Nitrobenzyl propionate
TL;DR: m-Nitrobenzyl propionate (CAS 174794-16-2) 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.
(3-nitrophenyl)methyl propanoate
Also Known As: m-Nitrobenzyl propionate, 3-Nitrobenzenemethanol acetate, (3-nitrophenyl)methyl propanoate, 3-NITROBENZYL PROPANOATE, BENZENEMETHANOL, 3-NITRO-, 1-PROPANOATE
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.4 |
| 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 | 236.0 |
Chemical Identifiers
| CAS Number | 174794-16-2 |
|---|---|
| SMILES | CCC(=O)OCC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | WMHOULGTYXECSC-UHFFFAOYSA-N |
Product Overview
m-Nitrobenzyl propionate (CAS 174794-16-2), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: (3-nitrophenyl)methyl propanoate.
Chemical Property Profile of m-Nitrobenzyl propionate
Property Insights of m-Nitrobenzyl propionate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Nitrobenzyl propionate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Nitrobenzyl propionate. Following Lipinski's Rule of Five, m-Nitrobenzyl propionate 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 m-Nitrobenzyl propionate?
The CAS number of m-Nitrobenzyl propionate is 174794-16-2.
What is the molecular formula of m-Nitrobenzyl propionate?
The molecular formula of m-Nitrobenzyl propionate is C10H11NO4.
What is the molecular weight of m-Nitrobenzyl propionate?
The molecular weight of m-Nitrobenzyl propionate is 209.07 g/mol.
Where can I buy m-Nitrobenzyl propionate?
You can request a quote for m-Nitrobenzyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Nitrobenzyl propionate?
Yes, KEHONG BIO provides custom synthesis services for m-Nitrobenzyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.