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Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate
TL;DR: Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate (CAS 346696-87-5) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-acetamidophenyl)sulfonylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate, dimethyl 5-[(4-acetamidophenyl)sulfonylamino]benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-(4-ACETAMIDOBENZENESULFONAMIDO)BENZENE-1,3-DICARBOXYLATE, dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)benzene-1,3-dicarboxylate, methyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-(methoxycarbonyl)benzoate
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 2.019 |
| Topological Polar Surface Area | 127.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 980.4797 |
Chemical Identifiers
| CAS Number | 346696-87-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate (CAS 346696-87-5), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: dimethyl 5-[(4-acetamidophenyl)sulfonylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate
Property Insights of Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate
The XLogP value of 2.019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate. The TPSA of 127.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate has 2 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-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate?
The CAS number of Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate is 346696-87-5.
What is the molecular formula of Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate?
The molecular formula of Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate is C18H18N2O7S.
What is the molecular weight of Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate?
The molecular weight of Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate is 406.08 g/mol.
Where can I buy Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate?
You can request a quote for Dimethyl 5-({[4-(acetylamino)phenyl]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-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.