2-((4-Methoxyphenyl)methyl)-1,3-dithiane
TL;DR: 2-((4-Methoxyphenyl)methyl)-1,3-dithiane (CAS 74447-45-3) is a chemical compound with molecular formula C12H16OS2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methyl]-1,3-dithiane
Also Known As: 2-(4-Methoxybenzyl)-1,3-dithiane, 2-[(4-methoxyphenyl)methyl]-1,3-dithiane, 2-(4-methoxyphenyl)methyl-1,3-dithiane, 2-((4-Methoxyphenyl)methyl)-1,3-dithiane, 2-(4-METHOXY-BENZYL)-(1,3)DITHIANE
| Molecular Formula | C12H16OS2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 3.4339 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.06425 |
| Heavy Atoms | 15 |
| Complexity | 290.99536 |
Chemical Identifiers
| CAS Number | 74447-45-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2SCCCS2 |
Product Overview
2-((4-Methoxyphenyl)methyl)-1,3-dithiane (CAS 74447-45-3), with molecular formula C12H16OS2 and molecular weight 240.06 g/mol. IUPAC: 2-[(4-methoxyphenyl)methyl]-1,3-dithiane.
Chemical Property Profile of 2-((4-Methoxyphenyl)methyl)-1,3-dithiane
Property Insights of 2-((4-Methoxyphenyl)methyl)-1,3-dithiane
The XLogP value of 3.4339 indicates that 2-((4-Methoxyphenyl)methyl)-1,3-dithiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 2-((4-Methoxyphenyl)methyl)-1,3-dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Methoxyphenyl)methyl)-1,3-dithiane 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-((4-Methoxyphenyl)methyl)-1,3-dithiane?
The CAS number of 2-((4-Methoxyphenyl)methyl)-1,3-dithiane is 74447-45-3.
What is the molecular formula of 2-((4-Methoxyphenyl)methyl)-1,3-dithiane?
The molecular formula of 2-((4-Methoxyphenyl)methyl)-1,3-dithiane is C12H16OS2.
What is the molecular weight of 2-((4-Methoxyphenyl)methyl)-1,3-dithiane?
The molecular weight of 2-((4-Methoxyphenyl)methyl)-1,3-dithiane is 240.06 g/mol.
Where can I buy 2-((4-Methoxyphenyl)methyl)-1,3-dithiane?
You can request a quote for 2-((4-Methoxyphenyl)methyl)-1,3-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methoxyphenyl)methyl)-1,3-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methoxyphenyl)methyl)-1,3-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.