4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate
TL;DR: 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate (CAS 331460-99-2) is a chemical compound with molecular formula C16H15ClO3S3 and molecular weight 385.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methyl-1,3-dithiolan-2-yl)phenyl] 4-chlorobenzenesulfonate
Also Known As: 4-(2-methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate, AA-768/32249041, [4-(2-methyl-1,3-dithiolan-2-yl)phenyl] 4-chlorobenzenesulfonate, 4-(2-methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzene-1-sulfonate, 2-[4-(4-chlorophenyl)sulfonyloxyphenyl]-2-methyl-1,3-dithiolane
| Molecular Formula | C16H15ClO3S3 |
|---|---|
| Molecular Weight | 385.99 g/mol |
| LogP | 4.7604 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.98718 |
| Heavy Atoms | 23 |
| Complexity | 780.3251 |
Chemical Identifiers
| CAS Number | 331460-99-2 |
|---|---|
| SMILES | CC1(SCCS1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate (CAS 331460-99-2), with molecular formula C16H15ClO3S3 and molecular weight 385.99 g/mol. IUPAC: [4-(2-methyl-1,3-dithiolan-2-yl)phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate
Property Insights of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate
The XLogP value of 4.7604 indicates that 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate 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-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate 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 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate?
The CAS number of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate is 331460-99-2.
What is the molecular formula of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate?
The molecular formula of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate is C16H15ClO3S3.
What is the molecular weight of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate?
The molecular weight of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate is 385.99 g/mol.
Where can I buy 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate?
You can request a quote for 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.