![1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate structure](/static/products/5453/545355-48-4.webp)
1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate
TL;DR: 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate (CAS 545355-48-4) 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 5-(ethylsulfonylamino)benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(ethylsulfonylamino)benzene-1,3-dicarboxylate, 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate
| 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 | 588.5848 |
Chemical Identifiers
| CAS Number | 545355-48-4 |
|---|---|
| SMILES | CCS(=O)(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate (CAS 545355-48-4), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: dimethyl 5-(ethylsulfonylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate
Property Insights of 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate
The XLogP value of 1.0214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate. Following Lipinski's Rule of Five, 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate 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 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate?
The CAS number of 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate is 545355-48-4.
What is the molecular formula of 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate?
The molecular formula of 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate is C12H15NO6S.
What is the molecular weight of 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate?
The molecular weight of 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate is 301.06 g/mol.
Where can I buy 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate?
You can request a quote for 1,3-Dimethyl 5-[(ethylsulfonyl)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-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.