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Dimethyl 2-[(ethylsulfonyl)amino]terephthalate
TL;DR: Dimethyl 2-[(ethylsulfonyl)amino]terephthalate (CAS 544463-50-5) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(ethylsulfonylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-[(ethylsulfonyl)amino]terephthalate, dimethyl 2-(ethylsulfonylamino)benzene-1,4-dicarboxylate, dimethyl 2-[(ethylsulfonyl)amino]benzene-1,4-dicarboxylate, methyl 3-[(ethylsulfonyl)amino]-4-(methoxycarbonyl)benzoate
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.0214 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 622.8348 |
Chemical Identifiers
| CAS Number | 544463-50-5 |
|---|---|
| SMILES | CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-[(ethylsulfonyl)amino]terephthalate (CAS 544463-50-5), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: dimethyl 2-(ethylsulfonylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(ethylsulfonyl)amino]terephthalate
Property Insights of Dimethyl 2-[(ethylsulfonyl)amino]terephthalate
The XLogP value of 1.0214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(ethylsulfonyl)amino]terephthalate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(ethylsulfonyl)amino]terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-[(ethylsulfonyl)amino]terephthalate has 1 hydrogen bond donor(s) and 6 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 2-[(ethylsulfonyl)amino]terephthalate?
The CAS number of Dimethyl 2-[(ethylsulfonyl)amino]terephthalate is 544463-50-5.
What is the molecular formula of Dimethyl 2-[(ethylsulfonyl)amino]terephthalate?
The molecular formula of Dimethyl 2-[(ethylsulfonyl)amino]terephthalate is C12H15NO6S.
What is the molecular weight of Dimethyl 2-[(ethylsulfonyl)amino]terephthalate?
The molecular weight of Dimethyl 2-[(ethylsulfonyl)amino]terephthalate is 301.06 g/mol.
Where can I buy Dimethyl 2-[(ethylsulfonyl)amino]terephthalate?
You can request a quote for Dimethyl 2-[(ethylsulfonyl)amino]terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(ethylsulfonyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(ethylsulfonyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.