5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole
TL;DR: 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole (CAS 163779-32-6) is a chemical compound with molecular formula C12H14O3S2 and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-dithian-2-yl)-4-methoxy-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 5-(1,3-dithian-2-yl)-4-methoxy-, 5-(1,3-dithian-2-yl)-4-methoxy-benzo[1,3]dioxole
| Molecular Formula | C12H14O3S2 |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 3.2926 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.03842 |
| Heavy Atoms | 17 |
| Complexity | 416.4569 |
Chemical Identifiers
| CAS Number | 163779-32-6 |
|---|---|
| SMILES | COC1=C(C=CC2=C1OCO2)C3SCCCS3 |
Product Overview
5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole (CAS 163779-32-6), with molecular formula C12H14O3S2 and molecular weight 270.04 g/mol. IUPAC: 5-(1,3-dithian-2-yl)-4-methoxy-1,3-benzodioxole.
Chemical Property Profile of 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole
Property Insights of 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole
The XLogP value of 3.2926 indicates that 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole has 0 hydrogen bond donor(s) and 5 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-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole?
The CAS number of 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole is 163779-32-6.
What is the molecular formula of 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole?
The molecular formula of 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole is C12H14O3S2.
What is the molecular weight of 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole?
The molecular weight of 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole is 270.04 g/mol.
Where can I buy 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole?
You can request a quote for 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Dithian-2-yl)-4-methoxy-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.