2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione
TL;DR: 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione (CAS 344264-73-9) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[(4-methylphenyl)methyl]thiomorpholine-3,5-dione
Also Known As: 2-methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione, 2-methyl-4-[(4-methylphenyl)methyl]thiomorpholine-3,5-dione, 2-methyl-4-(p-tolylmethyl)thiomorpholine-3,5-dione
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 1.98552 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 441.2376 |
Chemical Identifiers
| CAS Number | 344264-73-9 |
|---|---|
| SMILES | CC1C(=O)N(C(=O)CS1)CC2=CC=C(C=C2)C |
Product Overview
2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione (CAS 344264-73-9), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: 2-methyl-4-[(4-methylphenyl)methyl]thiomorpholine-3,5-dione.
Chemical Property Profile of 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione
Property Insights of 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione
The XLogP value of 1.98552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione. With a topological polar surface area (TPSA) of 37.38 Ų, 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione has 0 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-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione?
The CAS number of 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione is 344264-73-9.
What is the molecular formula of 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione?
The molecular formula of 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione is C13H15NO2S.
What is the molecular weight of 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione?
The molecular weight of 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione is 249.08 g/mol.
Where can I buy 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione?
You can request a quote for 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.