4-(4-Methoxybenzyl)-3,5-thiomorpholinedione
TL;DR: 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione (CAS 338953-64-3) 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-methoxyphenyl)methyl]thiomorpholine-3,5-dione
Also Known As: 4-(4-methoxybenzyl)-3,5-thiomorpholinedione, 4-[(4-methoxyphenyl)methyl]thiomorpholine-3,5-dione, 5H-311S
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 1.2972 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 413.8818 |
Chemical Identifiers
| CAS Number | 338953-64-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)CSCC2=O |
Product Overview
4-(4-Methoxybenzyl)-3,5-thiomorpholinedione (CAS 338953-64-3), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 4-[(4-methoxyphenyl)methyl]thiomorpholine-3,5-dione.
Chemical Property Profile of 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione
Property Insights of 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione
The XLogP value of 1.2972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione. With a topological polar surface area (TPSA) of 46.61 Ų, 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione has 0 hydrogen bond donor(s) and 4 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-Methoxybenzyl)-3,5-thiomorpholinedione?
The CAS number of 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione is 338953-64-3.
What is the molecular formula of 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione?
The molecular formula of 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione is C12H13NO3S.
What is the molecular weight of 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione?
The molecular weight of 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione is 251.06 g/mol.
Where can I buy 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione?
You can request a quote for 4-(4-Methoxybenzyl)-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 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxybenzyl)-3,5-thiomorpholinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.