1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate
TL;DR: 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate (CAS 329941-89-1) is a chemical compound with molecular formula C16H14N2O8S and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate
Also Known As: BAS 00625034, 1,3-Dimethyl 5-[[(4-nitrophenyl)sulfonyl]amino]-1,3-benzenedicarboxylate, DIMETHYL 5-(((4-NITROPHENYL)SULFONYL)AMINO)ISOPHTHALATE, dimethyl 5-[({4-nitrophenyl}sulfonyl)amino]isophthalate, dimethyl 5-[(4-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate
| Molecular Formula | C16H14N2O8S |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 1.9688 |
| Topological Polar Surface Area | 141.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.0471 |
| Heavy Atoms | 27 |
| Complexity | 965.3304 |
Chemical Identifiers
| CAS Number | 329941-89-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate (CAS 329941-89-1), with molecular formula C16H14N2O8S and molecular weight 394.05 g/mol. IUPAC: dimethyl 5-[(4-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate
Property Insights of 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate
The XLogP value of 1.9688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate. The TPSA of 141.91 Ų indicates high polarity, suggesting 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate has 1 hydrogen bond donor(s) and 8 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 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate?
The CAS number of 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate is 329941-89-1.
What is the molecular formula of 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate?
The molecular formula of 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate is C16H14N2O8S.
What is the molecular weight of 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate?
The molecular weight of 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate is 394.05 g/mol.
Where can I buy 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate?
You can request a quote for 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 5-(((4-nitrophenyl)sulfonyl)amino)-1,3-benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.