4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione
TL;DR: 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione (CAS 338953-68-7) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methylphenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione
Also Known As: 5H-316S, 4-(4-methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione, 4-(4-Methylbenzyl)-4-thiazinane-1,3,5-trione, 4-[(4-methylphenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione, 1-oxo-4-(p-tolylmethyl)-1,4-thiazinane-3,5-dione
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 0.61252 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 461.02905 |
Chemical Identifiers
| CAS Number | 338953-68-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)CS(=O)CC2=O |
Product Overview
4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione (CAS 338953-68-7), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 4-[(4-methylphenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione.
Chemical Property Profile of 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione
Property Insights of 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione
The XLogP value of 0.61252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione. With a topological polar surface area (TPSA) of 54.45 Ų, 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione 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 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione?
The CAS number of 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione is 338953-68-7.
What is the molecular formula of 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione?
The molecular formula of 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione is C12H13NO3S.
What is the molecular weight of 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione?
The molecular weight of 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione is 251.06 g/mol.
Where can I buy 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione?
You can request a quote for 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylbenzyl)-1lambda~4~,4-thiazinane-1,3,5-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.