2-(4-Methylphenyl)malondialdehyde
TL;DR: 2-(4-Methylphenyl)malondialdehyde (CAS 263766-83-2) is a chemical compound with molecular formula C17H20FN5S and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-tert-butyl-1-[(4-fluorophenyl)methyl]pyrazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 2-(4-Methylphenyl)malondialdehyde, 5-[3-(tert-Butyl)-1-(4-fluorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol, 3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-me, 3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-{5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl}-4-methyl-1,2,4-triazole-3-thiol
| Molecular Formula | C17H20FN5S |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 3.82609 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.14233 |
| Heavy Atoms | 24 |
| Complexity | 911.84686 |
Chemical Identifiers
| CAS Number | 263766-83-2 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)C2=NNC(=S)N2C)CC3=CC=C(C=C3)F |
Product Overview
2-(4-Methylphenyl)malondialdehyde (CAS 263766-83-2), with molecular formula C17H20FN5S and molecular weight 345.14 g/mol. IUPAC: 3-[3-tert-butyl-1-[(4-fluorophenyl)methyl]pyrazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2-(4-Methylphenyl)malondialdehyde
Property Insights of 2-(4-Methylphenyl)malondialdehyde
The XLogP value of 3.82609 indicates that 2-(4-Methylphenyl)malondialdehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, 2-(4-Methylphenyl)malondialdehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)malondialdehyde has 1 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-(4-Methylphenyl)malondialdehyde?
The CAS number of 2-(4-Methylphenyl)malondialdehyde is 263766-83-2.
What is the molecular formula of 2-(4-Methylphenyl)malondialdehyde?
The molecular formula of 2-(4-Methylphenyl)malondialdehyde is C17H20FN5S.
What is the molecular weight of 2-(4-Methylphenyl)malondialdehyde?
The molecular weight of 2-(4-Methylphenyl)malondialdehyde is 345.14 g/mol.
Where can I buy 2-(4-Methylphenyl)malondialdehyde?
You can request a quote for 2-(4-Methylphenyl)malondialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)malondialdehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)malondialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.