5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione
TL;DR: 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione (CAS 497071-98-4) is a chemical compound with molecular formula C13H18N2OS2 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione
Also Known As: CYCS-INPP4A PPI-IN-1, 5-ethyl-3-p-anisyl-1,3,5-thiadiazinane-2-thione, 5-ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione, 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione
| Molecular Formula | C13H18N2OS2 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.7658 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.08606 |
| Heavy Atoms | 18 |
| Complexity | 407.9572 |
Chemical Identifiers
| CAS Number | 497071-98-4 |
|---|---|
| SMILES | CCN1CN(C(=S)SC1)CC2=CC=C(C=C2)OC |
Product Overview
5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione (CAS 497071-98-4), with molecular formula C13H18N2OS2 and molecular weight 282.09 g/mol. IUPAC: 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione.
Chemical Property Profile of 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione
Property Insights of 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione
The XLogP value of 2.7658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione. With a topological polar surface area (TPSA) of 15.71 Ų, 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione 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 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione?
The CAS number of 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione is 497071-98-4.
What is the molecular formula of 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione?
The molecular formula of 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione is C13H18N2OS2.
What is the molecular weight of 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione?
The molecular weight of 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione is 282.09 g/mol.
Where can I buy 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione?
You can request a quote for 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.