4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate
TL;DR: 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate (CAS 329779-11-5) is a chemical compound with molecular formula C17H15ClO2S2 and molecular weight 350.02 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-chlorobenzoate
Also Known As: 4-(2-methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate, 4-(2-methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzoate, [4-(2-methyl-1,3-dithiolan-2-yl)phenyl] 4-chlorobenzoate, 4-(2-methyl-1,3-dithiolan-2-yl)phenyl4-chlorobenzoate, 4-CHLORO-BENZOIC ACID 4-(2-METHYL-(1,3)DITHIOLAN-2-YL)-PHENYL ESTER
| Molecular Formula | C17H15ClO2S2 |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 5.2119 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0202 |
| Heavy Atoms | 22 |
| Complexity | 662.06323 |
Chemical Identifiers
| CAS Number | 329779-11-5 |
|---|---|
| SMILES | CC1(SCCS1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate (CAS 329779-11-5), with molecular formula C17H15ClO2S2 and molecular weight 350.02 g/mol. IUPAC: [4-(2-methyl-1,3-dithiolan-2-yl)phenyl] 4-chlorobenzoate.
Chemical Property Profile of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate
Property Insights of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate
The XLogP value of 5.2119 indicates that 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate 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-chlorobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate?
The CAS number of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate is 329779-11-5.
What is the molecular formula of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate?
The molecular formula of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate is C17H15ClO2S2.
What is the molecular weight of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate?
The molecular weight of 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate is 350.02 g/mol.
Where can I buy 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate?
You can request a quote for 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate 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-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methyl-1,3-dithiolan-2-yl)phenyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.