(E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime
TL;DR: (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime (CAS 361464-73-5) is a chemical compound with molecular formula C13H10BrN3O2S and molecular weight 350.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-bromophenyl)methylideneamino] 2-pyrimidin-2-ylsulfanylacetate
Also Known As: (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime, 1-({[(E)-(4-bromophenyl)methylidene]amino}oxy)-2-(pyrimidin-2-ylsulfanyl)ethanone
| Molecular Formula | C13H10BrN3O2S |
|---|---|
| Molecular Weight | 350.97 g/mol |
| LogP | 2.9085 |
| Topological Polar Surface Area | 64.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.9677 |
| Heavy Atoms | 20 |
| Complexity | 590.3251 |
Chemical Identifiers
| CAS Number | 361464-73-5 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)O/N=C/C2=CC=C(C=C2)Br |
Product Overview
(E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime (CAS 361464-73-5), with molecular formula C13H10BrN3O2S and molecular weight 350.97 g/mol. IUPAC: [(E)-(4-bromophenyl)methylideneamino] 2-pyrimidin-2-ylsulfanylacetate.
Chemical Property Profile of (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime
Property Insights of (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime
The XLogP value of 2.9085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime. The TPSA of 64.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime. Following Lipinski's Rule of Five, (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime 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 (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime?
The CAS number of (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime is 361464-73-5.
What is the molecular formula of (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime?
The molecular formula of (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime is C13H10BrN3O2S.
What is the molecular weight of (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime?
The molecular weight of (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime is 350.97 g/mol.
Where can I buy (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime?
You can request a quote for (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-bromobenzaldehyde O-(2-(pyrimidin-2-ylthio)acetyl) oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.