![2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione structure](/static/products/992/99236-23-4.png)
2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione
TL;DR: 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione (CAS 99236-23-4) is a chemical compound with molecular formula C23H20O2S and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanyl-1,4-diphenylbutane-1,4-dione
Also Known As: 2L-388S, 2-[(4-methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione, 2-(4-methylphenyl)sulfanyl-1,4-diphenylbutane-1,4-dione, 2-[(4-methylphenyl)sulfanyl]-1,4-diphenylbutane-1,4-dione
| Molecular Formula | C23H20O2S |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 5.61162 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.1184 |
| Heavy Atoms | 26 |
| Complexity | 871.10095 |
Chemical Identifiers
| CAS Number | 99236-23-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
Product Overview
2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione (CAS 99236-23-4), with molecular formula C23H20O2S and molecular weight 360.12 g/mol. IUPAC: 2-(4-methylphenyl)sulfanyl-1,4-diphenylbutane-1,4-dione.
Chemical Property Profile of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione
Property Insights of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione
The XLogP value of 5.61162 indicates that 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione?
The CAS number of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione is 99236-23-4.
What is the molecular formula of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione?
The molecular formula of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione is C23H20O2S.
What is the molecular weight of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione?
The molecular weight of 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione is 360.12 g/mol.
Where can I buy 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione?
You can request a quote for 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione 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)sulfanyl]-1,4-diphenyl-1,4-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)sulfanyl]-1,4-diphenyl-1,4-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.