1-p-Tolyl-propan-1,2-dion-2-oxim
TL;DR: 1-p-Tolyl-propan-1,2-dion-2-oxim (CAS 5400-87-3) is a chemical compound with molecular formula C22H27N7O2S and molecular weight 453.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
Also Known As: 1-p-Tolyl-propan-1,2-dion-2-oxim, N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide, N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide, N-[2-(4-Ethylpiperazin-1-yl)phenyl]-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
| Molecular Formula | C22H27N7O2S |
|---|---|
| Molecular Weight | 453.19 g/mol |
| LogP | 2.5436 |
| Topological Polar Surface Area | 88.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.1947 |
| Heavy Atoms | 32 |
| Complexity | 1050.0184 |
Chemical Identifiers
| CAS Number | 5400-87-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NN=NN3C4=CC=CC=C4OC |
Product Overview
1-p-Tolyl-propan-1,2-dion-2-oxim (CAS 5400-87-3), with molecular formula C22H27N7O2S and molecular weight 453.19 g/mol. IUPAC: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
Chemical Property Profile of 1-p-Tolyl-propan-1,2-dion-2-oxim
Property Insights of 1-p-Tolyl-propan-1,2-dion-2-oxim
The XLogP value of 2.5436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-p-Tolyl-propan-1,2-dion-2-oxim. The TPSA of 88.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-p-Tolyl-propan-1,2-dion-2-oxim. Following Lipinski's Rule of Five, 1-p-Tolyl-propan-1,2-dion-2-oxim has 1 hydrogen bond donor(s) and 8 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-p-Tolyl-propan-1,2-dion-2-oxim?
The CAS number of 1-p-Tolyl-propan-1,2-dion-2-oxim is 5400-87-3.
What is the molecular formula of 1-p-Tolyl-propan-1,2-dion-2-oxim?
The molecular formula of 1-p-Tolyl-propan-1,2-dion-2-oxim is C22H27N7O2S.
What is the molecular weight of 1-p-Tolyl-propan-1,2-dion-2-oxim?
The molecular weight of 1-p-Tolyl-propan-1,2-dion-2-oxim is 453.19 g/mol.
Where can I buy 1-p-Tolyl-propan-1,2-dion-2-oxim?
You can request a quote for 1-p-Tolyl-propan-1,2-dion-2-oxim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-p-Tolyl-propan-1,2-dion-2-oxim?
Yes, KEHONG BIO provides custom synthesis services for 1-p-Tolyl-propan-1,2-dion-2-oxim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.