Thiolan-3-yl 2,4-dichlorobenzoate
TL;DR: Thiolan-3-yl 2,4-dichlorobenzoate (CAS 647825-61-4) is a chemical compound with molecular formula C11H10Cl2O2S and molecular weight 275.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiolan-3-yl 2,4-dichlorobenzoate
Also Known As: thiolan-3-yl 2,4-dichlorobenzoate, tetrahydrothiophen-3-yl 2,4-dichlorobenzoate
| Molecular Formula | C11H10Cl2O2S |
|---|---|
| Molecular Weight | 275.98 g/mol |
| LogP | 3.6557 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.97784 |
| Heavy Atoms | 16 |
| Complexity | 402.97107 |
Chemical Identifiers
| CAS Number | 647825-61-4 |
|---|---|
| SMILES | C1CSCC1OC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
Thiolan-3-yl 2,4-dichlorobenzoate (CAS 647825-61-4), with molecular formula C11H10Cl2O2S and molecular weight 275.98 g/mol. IUPAC: thiolan-3-yl 2,4-dichlorobenzoate.
Chemical Property Profile of Thiolan-3-yl 2,4-dichlorobenzoate
Property Insights of Thiolan-3-yl 2,4-dichlorobenzoate
The XLogP value of 3.6557 indicates that Thiolan-3-yl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Thiolan-3-yl 2,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiolan-3-yl 2,4-dichlorobenzoate 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 Thiolan-3-yl 2,4-dichlorobenzoate?
The CAS number of Thiolan-3-yl 2,4-dichlorobenzoate is 647825-61-4.
What is the molecular formula of Thiolan-3-yl 2,4-dichlorobenzoate?
The molecular formula of Thiolan-3-yl 2,4-dichlorobenzoate is C11H10Cl2O2S.
What is the molecular weight of Thiolan-3-yl 2,4-dichlorobenzoate?
The molecular weight of Thiolan-3-yl 2,4-dichlorobenzoate is 275.98 g/mol.
Where can I buy Thiolan-3-yl 2,4-dichlorobenzoate?
You can request a quote for Thiolan-3-yl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiolan-3-yl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Thiolan-3-yl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.