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Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate
TL;DR: Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate (CAS 16362-48-4) 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-[(2-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate
Also Known As: BAS 00625160, AB00017907-01, dimethyl 5-(2-nitrophenylsulfonamido)isophthalate, dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate, dimethyl 5-[(2-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 | 982.5804 |
Chemical Identifiers
| CAS Number | 16362-48-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate (CAS 16362-48-4), with molecular formula C16H14N2O8S and molecular weight 394.05 g/mol. IUPAC: dimethyl 5-[(2-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate
Property Insights of Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate
The XLogP value of 1.9688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate. The TPSA of 141.91 Ų indicates high polarity, suggesting Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate 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 Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate?
The CAS number of Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate is 16362-48-4.
What is the molecular formula of Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate?
The molecular formula of Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate is C16H14N2O8S.
What is the molecular weight of Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate?
The molecular weight of Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate is 394.05 g/mol.
Where can I buy Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate?
You can request a quote for Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[({2-nitrophenyl}sulfonyl)amino]isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.