4-Propanoylphenyl 2-nitrobenzoate
TL;DR: 4-Propanoylphenyl 2-nitrobenzoate (CAS 511516-37-3) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propanoylphenyl) 2-nitrobenzoate
Also Known As: 4-propanoylphenyl 2-nitrobenzoate, 4-propionylphenyl 2-nitrobenzoate, (4-propanoylphenyl) 2-nitrobenzoate
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 3.4067 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 721.571 |
Chemical Identifiers
| CAS Number | 511516-37-3 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
4-Propanoylphenyl 2-nitrobenzoate (CAS 511516-37-3), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: (4-propanoylphenyl) 2-nitrobenzoate.
Chemical Property Profile of 4-Propanoylphenyl 2-nitrobenzoate
Property Insights of 4-Propanoylphenyl 2-nitrobenzoate
The XLogP value of 3.4067 indicates that 4-Propanoylphenyl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Propanoylphenyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 4-Propanoylphenyl 2-nitrobenzoate has 0 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 4-Propanoylphenyl 2-nitrobenzoate?
The CAS number of 4-Propanoylphenyl 2-nitrobenzoate is 511516-37-3.
What is the molecular formula of 4-Propanoylphenyl 2-nitrobenzoate?
The molecular formula of 4-Propanoylphenyl 2-nitrobenzoate is C16H13NO5.
What is the molecular weight of 4-Propanoylphenyl 2-nitrobenzoate?
The molecular weight of 4-Propanoylphenyl 2-nitrobenzoate is 299.08 g/mol.
Where can I buy 4-Propanoylphenyl 2-nitrobenzoate?
You can request a quote for 4-Propanoylphenyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propanoylphenyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Propanoylphenyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.