(1-Phenylcyclobutyl) 3,5-dinitrobenzoate
TL;DR: (1-Phenylcyclobutyl) 3,5-dinitrobenzoate (CAS 18592-80-8) is a chemical compound with molecular formula C17H14N2O6 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenylcyclobutyl) 3,5-dinitrobenzoate
Also Known As: (1-phenylcyclobutyl) 3,5-dinitrobenzoate, 1-Phenylcyclobutyl 3,5-dinitrobenzoate
| Molecular Formula | C17H14N2O6 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.08517 |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 18592-80-8 |
|---|---|
| SMILES | C1CC(C1)(C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MFGITMZHASGRQN-UHFFFAOYSA-N |
Product Overview
(1-Phenylcyclobutyl) 3,5-dinitrobenzoate (CAS 18592-80-8), with molecular formula C17H14N2O6 and molecular weight 342.09 g/mol. IUPAC: (1-phenylcyclobutyl) 3,5-dinitrobenzoate.
Chemical Property Profile of (1-Phenylcyclobutyl) 3,5-dinitrobenzoate
Property Insights of (1-Phenylcyclobutyl) 3,5-dinitrobenzoate
The XLogP value of 3.6 indicates that (1-Phenylcyclobutyl) 3,5-dinitrobenzoate 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 (1-Phenylcyclobutyl) 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, (1-Phenylcyclobutyl) 3,5-dinitrobenzoate 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 (1-Phenylcyclobutyl) 3,5-dinitrobenzoate?
The CAS number of (1-Phenylcyclobutyl) 3,5-dinitrobenzoate is 18592-80-8.
What is the molecular formula of (1-Phenylcyclobutyl) 3,5-dinitrobenzoate?
The molecular formula of (1-Phenylcyclobutyl) 3,5-dinitrobenzoate is C17H14N2O6.
What is the molecular weight of (1-Phenylcyclobutyl) 3,5-dinitrobenzoate?
The molecular weight of (1-Phenylcyclobutyl) 3,5-dinitrobenzoate is 342.09 g/mol.
Where can I buy (1-Phenylcyclobutyl) 3,5-dinitrobenzoate?
You can request a quote for (1-Phenylcyclobutyl) 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Phenylcyclobutyl) 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Phenylcyclobutyl) 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.