(S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate
TL;DR: (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate (CAS 3205-18-3) 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.
[(1S)-1-phenylethyl] 3,5-dinitrobenzoate
Also Known As: (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate, [(1S)-1-phenylethyl] 3,5-dinitrobenzoate, [(1S)-1-phenylethyl]3,5-dinitrobenzoate, (1S)-1-PHENYLETHYL 3,5-DINITROBENZOATE, 3,5-Dinitro-benzoesaeure-(1-phenyl-aethylester)
| Molecular Formula | C15H12N2O6 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 3.421 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.06955 |
| Heavy Atoms | 23 |
| Complexity | 727.5673 |
Chemical Identifiers
| CAS Number | 3205-18-3 |
|---|---|
| SMILES | C[C@@H](C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate (CAS 3205-18-3), with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol. IUPAC: [(1S)-1-phenylethyl] 3,5-dinitrobenzoate.
Chemical Property Profile of (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate
Property Insights of (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate
The XLogP value of 3.421 indicates that (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, (S)-(+)-1-Phenylethyl 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 (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate?
The CAS number of (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate is 3205-18-3.
What is the molecular formula of (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate?
The molecular formula of (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate is C15H12N2O6.
What is the molecular weight of (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate?
The molecular weight of (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate is 316.07 g/mol.
Where can I buy (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate?
You can request a quote for (S)-(+)-1-Phenylethyl 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 (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.