4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate
TL;DR: 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate (CAS 301194-00-3) is a chemical compound with molecular formula C16H15BrO3S3 and molecular weight 429.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithian-2-yl)phenyl] 4-bromobenzenesulfonate
Also Known As: 4-(1,3-dithian-2-yl)phenyl 4-bromobenzenesulfonate, [4-(1,3-dithian-2-yl)phenyl] 4-bromobenzenesulfonate, 4-(1,3-dithian-2-yl)phenyl 4-bromobenzene-1-sulfonate, AA-768/34977026, 2-[4-(4-bromophenyl)sulfonyloxyphenyl]-1,3-dithiane
| Molecular Formula | C16H15BrO3S3 |
|---|---|
| Molecular Weight | 429.94 g/mol |
| LogP | 5.0855 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.93668 |
| Heavy Atoms | 23 |
| Complexity | 752.1624 |
Chemical Identifiers
| CAS Number | 301194-00-3 |
|---|---|
| SMILES | C1CSC(SC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate (CAS 301194-00-3), with molecular formula C16H15BrO3S3 and molecular weight 429.94 g/mol. IUPAC: [4-(1,3-dithian-2-yl)phenyl] 4-bromobenzenesulfonate.
Chemical Property Profile of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate
Property Insights of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate
The XLogP value of 5.0855 indicates that 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate?
The CAS number of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate is 301194-00-3.
What is the molecular formula of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate?
The molecular formula of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate is C16H15BrO3S3.
What is the molecular weight of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate?
The molecular weight of 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate is 429.94 g/mol.
Where can I buy 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate?
You can request a quote for 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithian-2-yl)phenyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.