2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate
TL;DR: 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate (CAS 261761-07-3) is a chemical compound with molecular formula C16H12ClNO4S2 and molecular weight 380.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-dithiolan-2-yl)-4-nitrophenyl] 4-chlorobenzoate
Also Known As: 2-(1,3-dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate, [2-(1,3-dithiolan-2-yl)-4-nitrophenyl] 4-chlorobenzoate
| Molecular Formula | C16H12ClNO4S2 |
|---|---|
| Molecular Weight | 380.99 g/mol |
| LogP | 4.946 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.98962 |
| Heavy Atoms | 24 |
| Complexity | 776.1469 |
Chemical Identifiers
| CAS Number | 261761-07-3 |
|---|---|
| SMILES | C1CSC(S1)C2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate (CAS 261761-07-3), with molecular formula C16H12ClNO4S2 and molecular weight 380.99 g/mol. IUPAC: [2-(1,3-dithiolan-2-yl)-4-nitrophenyl] 4-chlorobenzoate.
Chemical Property Profile of 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate
Property Insights of 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate
The XLogP value of 4.946 indicates that 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 6 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 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate?
The CAS number of 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate is 261761-07-3.
What is the molecular formula of 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate?
The molecular formula of 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate is C16H12ClNO4S2.
What is the molecular weight of 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate?
The molecular weight of 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate is 380.99 g/mol.
Where can I buy 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate?
You can request a quote for 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithiolan-2-yl)-4-nitrophenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.