4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate
TL;DR: 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate (CAS 298215-45-9) is a chemical compound with molecular formula C17H14ClNO5S2 and molecular weight 411.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2-chlorobenzoate
Also Known As: AA-768/32250003, 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate, [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2-chlorobenzoate, 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzoate, 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl2-chlorobenzoate
| Molecular Formula | C17H14ClNO5S2 |
|---|---|
| Molecular Weight | 411.00 g/mol |
| LogP | 4.9546 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.00018 |
| Heavy Atoms | 26 |
| Complexity | 855.04205 |
Chemical Identifiers
| CAS Number | 298215-45-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-])C3SCCS3 |
Product Overview
4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate (CAS 298215-45-9), with molecular formula C17H14ClNO5S2 and molecular weight 411.00 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2-chlorobenzoate.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate
Property Insights of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate
The XLogP value of 4.9546 indicates that 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate has 0 hydrogen bond donor(s) and 7 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)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate?
The CAS number of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate is 298215-45-9.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate?
The molecular formula of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate is C17H14ClNO5S2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate?
The molecular weight of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate is 411.00 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate?
You can request a quote for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate 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)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.