![3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate structure](/static/products/798/798-43-6.png)
3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate
TL;DR: 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate (CAS 798-43-6) is a chemical compound with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitro-6-phenylphenyl) propanoate
Also Known As: (2,4-dinitro-6-phenylphenyl) propanoate, 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate
| Molecular Formula | C15H12N2O6 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06955 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 798-43-6 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2 |
| InChIKey | JSRVJFCYAYSQKQ-UHFFFAOYSA-N |
Product Overview
3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate (CAS 798-43-6), with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol. IUPAC: (2,4-dinitro-6-phenylphenyl) propanoate.
Chemical Property Profile of 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate
Property Insights of 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate
The XLogP value of 3.4 indicates that 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate. Following Lipinski's Rule of Five, 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate has 0 hydrogen bond donor(s) and 6 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 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate?
The CAS number of 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate is 798-43-6.
What is the molecular formula of 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate?
The molecular formula of 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate is C15H12N2O6.
What is the molecular weight of 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate?
The molecular weight of 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate is 316.07 g/mol.
Where can I buy 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate?
You can request a quote for 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.