![1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium structure](/static/products/7652/765211-04-9.webp)
1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium
TL;DR: 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium (CAS 765211-04-9) is a chemical compound with molecular formula C14H10BrN2O+ and molecular weight 301.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carbonitrile
Also Known As: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-cyanopyridinium, AB00080776-01, 1-[2-(4-BROMOPHENYL)-2-OXOETHYL]-3-CYANOPYRIDIN-1-IUM, 1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carbonitrile
| Molecular Formula | C14H10BrN2O+ |
|---|---|
| Molecular Weight | 301.00 g/mol |
| LogP | 2.49118 |
| Topological Polar Surface Area | 44.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.99765 |
| Heavy Atoms | 18 |
| Complexity | 614.4363 |
Chemical Identifiers
| CAS Number | 765211-04-9 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Br)C#N |
Product Overview
1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium (CAS 765211-04-9), with molecular formula C14H10BrN2O+ and molecular weight 301.00 g/mol. IUPAC: 1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carbonitrile.
Chemical Property Profile of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium
Property Insights of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium
The XLogP value of 2.49118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium. With a topological polar surface area (TPSA) of 44.74 Ų, 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium has 0 hydrogen bond donor(s) and 2 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-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium?
The CAS number of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium is 765211-04-9.
What is the molecular formula of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium?
The molecular formula of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium is C14H10BrN2O+.
What is the molecular weight of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium?
The molecular weight of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium is 301.00 g/mol.
Where can I buy 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium?
You can request a quote for 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-cyanopyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.