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Dimethyl 5-[(phenylsulfonyl)amino]isophthalate
TL;DR: Dimethyl 5-[(phenylsulfonyl)amino]isophthalate (CAS 328258-23-7) is a chemical compound with molecular formula C16H15NO6S and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(benzenesulfonamido)benzene-1,3-dicarboxylate
Also Known As: TimTec1_000810, dimethyl 5-[(phenylsulfonyl)amino]isophthalate, dimethyl 5-(benzenesulfonamido)benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-[(phenylsulfonyl)amino]benzoate
| Molecular Formula | C16H15NO6S |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.062 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 328258-23-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)OC |
| InChIKey | OXGKKBRPBWUZMB-UHFFFAOYSA-N |
Product Overview
Dimethyl 5-[(phenylsulfonyl)amino]isophthalate (CAS 328258-23-7), with molecular formula C16H15NO6S and molecular weight 349.06 g/mol. IUPAC: dimethyl 5-(benzenesulfonamido)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(phenylsulfonyl)amino]isophthalate
Property Insights of Dimethyl 5-[(phenylsulfonyl)amino]isophthalate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(phenylsulfonyl)amino]isophthalate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[(phenylsulfonyl)amino]isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-[(phenylsulfonyl)amino]isophthalate has 1 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 Dimethyl 5-[(phenylsulfonyl)amino]isophthalate?
The CAS number of Dimethyl 5-[(phenylsulfonyl)amino]isophthalate is 328258-23-7.
What is the molecular formula of Dimethyl 5-[(phenylsulfonyl)amino]isophthalate?
The molecular formula of Dimethyl 5-[(phenylsulfonyl)amino]isophthalate is C16H15NO6S.
What is the molecular weight of Dimethyl 5-[(phenylsulfonyl)amino]isophthalate?
The molecular weight of Dimethyl 5-[(phenylsulfonyl)amino]isophthalate is 349.06 g/mol.
Where can I buy Dimethyl 5-[(phenylsulfonyl)amino]isophthalate?
You can request a quote for Dimethyl 5-[(phenylsulfonyl)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-[(phenylsulfonyl)amino]isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(phenylsulfonyl)amino]isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.