![4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid structure](/static/products/868/868255-47-4.png)
4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid
TL;DR: 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid (CAS 868255-47-4) is a chemical compound with molecular formula C23H28O3S and molecular weight 384.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]butanoic acid
Also Known As: 4-(4-methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid, 4-(4-methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]butanoic Acid, 4-(4-methylphenyl)-4-oxo-2-{[(2,3,4,5,6-pentamethylphenyl)methyl]sulfanyl}butanoic acid, 4-(4-methylphenyl)-4-oxo-2-{[(2,3,4,5,6-pentamethylphenyl)methyl]sulfanyl}butanoicacid
| Molecular Formula | C23H28O3S |
|---|---|
| Molecular Weight | 384.18 g/mol |
| LogP | 5.49652 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.1759 |
| Heavy Atoms | 27 |
| Complexity | 837.17755 |
Chemical Identifiers
| CAS Number | 868255-47-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC2=C(C(=C(C(=C2C)C)C)C)C |
Product Overview
4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid (CAS 868255-47-4), with molecular formula C23H28O3S and molecular weight 384.18 g/mol. IUPAC: 4-(4-methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]butanoic acid.
Chemical Property Profile of 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid
Property Insights of 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid
The XLogP value of 5.49652 indicates that 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid has 1 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 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid?
The CAS number of 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid is 868255-47-4.
What is the molecular formula of 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid?
The molecular formula of 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid is C23H28O3S.
What is the molecular weight of 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid?
The molecular weight of 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid is 384.18 g/mol.
Where can I buy 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid?
You can request a quote for 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-4-oxo-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.