5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile
TL;DR: 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile (CAS 20779-13-9) is a chemical compound with molecular formula C18H14BrNO2 and molecular weight 355.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile
Also Known As: 5-benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile, 5-benzoyl-3-bromo-2-phenyltetrahydrofuran-2-carbonitrile(non-preferred name)
| Molecular Formula | C18H14BrNO2 |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.02078 |
| Heavy Atoms | 22 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 20779-13-9 |
|---|---|
| SMILES | C1C(OC(C1Br)(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | RABTWZKKSGXMPG-UHFFFAOYSA-N |
Product Overview
5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile (CAS 20779-13-9), with molecular formula C18H14BrNO2 and molecular weight 355.02 g/mol. IUPAC: 5-benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile.
Chemical Property Profile of 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile
Property Insights of 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile
The XLogP value of 3.8 indicates that 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile?
The CAS number of 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile is 20779-13-9.
What is the molecular formula of 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile?
The molecular formula of 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile is C18H14BrNO2.
What is the molecular weight of 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile?
The molecular weight of 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile is 355.02 g/mol.
Where can I buy 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile?
You can request a quote for 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.