2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane
TL;DR: 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane (CAS 301194-01-4) is a chemical compound with molecular formula C11H13BrOS2 and molecular weight 303.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-methoxyphenyl)-1,3-dithiane
Also Known As: 2-(5-bromo-2-methoxyphenyl)-1,3-dithiane, 2-(5-bromo-2-methoxy-phenyl)-1,3-dithiane, 4-bromo-2-(1,3-dithian-2-yl)phenyl methyl ether
| Molecular Formula | C11H13BrOS2 |
|---|---|
| Molecular Weight | 303.96 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.9591 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 301194-01-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C2SCCCS2 |
| InChIKey | HXPYJRJJMSOZLW-UHFFFAOYSA-N |
Product Overview
2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane (CAS 301194-01-4), with molecular formula C11H13BrOS2 and molecular weight 303.96 g/mol. IUPAC: 2-(5-bromo-2-methoxyphenyl)-1,3-dithiane.
Chemical Property Profile of 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane
Property Insights of 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane
The XLogP value of 3.9 indicates that 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Bromo-2-methoxyphenyl)-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-(5-Bromo-2-methoxyphenyl)-1,3-dithiane?
The CAS number of 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane is 301194-01-4.
What is the molecular formula of 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane?
The molecular formula of 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane is C11H13BrOS2.
What is the molecular weight of 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane?
The molecular weight of 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane is 303.96 g/mol.
Where can I buy 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane?
You can request a quote for 2-(5-Bromo-2-methoxyphenyl)-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-(5-Bromo-2-methoxyphenyl)-1,3-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Bromo-2-methoxyphenyl)-1,3-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.