4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate
TL;DR: 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate (CAS 329079-37-0) is a chemical compound with molecular formula C16H13ClO2S2 and molecular weight 336.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)phenyl] 2-chlorobenzoate
Also Known As: TimTec1_001314, 4-(1,3-dithiolan-2-yl)phenyl 2-chlorobenzoate, [4-(1,3-dithiolan-2-yl)phenyl] 2-chlorobenzoate, 4-(1,3-dithiolan-2-yl)phenyl2-chlorobenzoate, AA-768/32249061
| Molecular Formula | C16H13ClO2S2 |
|---|---|
| Molecular Weight | 336.00 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.00455 |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 329079-37-0 |
|---|---|
| SMILES | C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl |
| InChIKey | DAUHLVDAQLTCOY-UHFFFAOYSA-N |
Product Overview
4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate (CAS 329079-37-0), with molecular formula C16H13ClO2S2 and molecular weight 336.00 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)phenyl] 2-chlorobenzoate.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate
Property Insights of 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate
The XLogP value of 5.0 indicates that 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate has 0 hydrogen bond donor(s) and 4 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-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate?
The CAS number of 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate is 329079-37-0.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate?
The molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate is C16H13ClO2S2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate?
The molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate is 336.00 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate?
You can request a quote for 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate 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-Dithiolan-2-yl)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.