![2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate structure](/static/products/4778/477889-57-9.webp)
2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate
TL;DR: 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate (CAS 477889-57-9) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxidopyridin-1-ium-2-yl)-(3-phenyloxiran-2-yl)methanone
Also Known As: 2-[(3-phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate, (1-oxidopyridin-1-ium-2-yl)-(3-phenyloxiran-2-yl)methanone, 2R-0615, 2-(3-phenyloxirane-2-carbonyl)pyridin-1-ium-1-olate
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 1.6428 |
| Topological Polar Surface Area | 56.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 582.6028 |
Chemical Identifiers
| CAS Number | 477889-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=[N+]3[O-] |
Product Overview
2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate (CAS 477889-57-9), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: (1-oxidopyridin-1-ium-2-yl)-(3-phenyloxiran-2-yl)methanone.
Chemical Property Profile of 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate
Property Insights of 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate
The XLogP value of 1.6428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate. With a topological polar surface area (TPSA) of 56.54 Ų, 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate 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 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate?
The CAS number of 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate is 477889-57-9.
What is the molecular formula of 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate?
The molecular formula of 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate is C14H11NO3.
What is the molecular weight of 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate?
The molecular weight of 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate is 241.07 g/mol.
Where can I buy 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate?
You can request a quote for 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Phenyl-2-oxiranyl)carbonyl]-1-pyridiniumolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.