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Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate (CAS 708283-54-9) is a chemical compound with molecular formula C15H20N2O4S and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(tert-butylcarbamothioylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-(tert-butyl)thioureido)isophthalate, dimethyl 5-(tert-butylcarbamothioylamino)benzene-1,3-dicarboxylate, dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate, DIMETHYL 5-{[(TERT-BUTYLAMINO)CARBOTHIOYL]AMINO}ISOPHTHALATE, methyl 5-({[(tert-butyl)amino]thioxomethyl}amino)-3-(methoxycarbonyl)benzoate
| Molecular Formula | C15H20N2O4S |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.3447 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.11438 |
| Heavy Atoms | 22 |
| Complexity | 559.4455 |
Chemical Identifiers
| CAS Number | 708283-54-9 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate (CAS 708283-54-9), with molecular formula C15H20N2O4S and molecular weight 324.11 g/mol. IUPAC: dimethyl 5-(tert-butylcarbamothioylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate
The XLogP value of 2.3447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate has 2 hydrogen bond donor(s) and 5 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-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate is 708283-54-9.
What is the molecular formula of Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate is C15H20N2O4S.
What is the molecular weight of Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate is 324.11 g/mol.
Where can I buy Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(tert-butylcarbamothioyl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.