Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide
TL;DR: Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide (CAS 301298-84-0) is a chemical compound with molecular formula C14H15NO10S2 and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(4-nitrophenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
Also Known As: UPCMLD0ENAT0500-3274:001, F0264-0060, dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide, dimethyl 5-(4-nitrophenyl)-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithiane-4,6-dicarboxylate, dimethyl 5-(4-nitrophenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
| Molecular Formula | C14H15NO10S2 |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | -0.4377 |
| Topological Polar Surface Area | 164.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.01373 |
| Heavy Atoms | 27 |
| Complexity | 929.2293 |
Chemical Identifiers
| CAS Number | 301298-84-0 |
|---|---|
| SMILES | COC(=O)C1C(C(S(=O)(=O)CS1(=O)=O)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide (CAS 301298-84-0), with molecular formula C14H15NO10S2 and molecular weight 421.01 g/mol. IUPAC: dimethyl 5-(4-nitrophenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide
Property Insights of Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide
The XLogP value of -0.4377 indicates that Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.02 Ų indicates high polarity, suggesting Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide has 0 hydrogen bond donor(s) and 10 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 Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide?
The CAS number of Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide is 301298-84-0.
What is the molecular formula of Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide?
The molecular formula of Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide is C14H15NO10S2.
What is the molecular weight of Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide?
The molecular weight of Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide is 421.01 g/mol.
Where can I buy Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide?
You can request a quote for Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(4-nitrophenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.