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Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate (CAS 433945-32-5) is a chemical compound with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(propanoylcarbamothioylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-propionylthioureido)isophthalate, dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-(propanoylcarbamothioylamino)benzene-1,3-dicarboxylate
| Molecular Formula | C14H16N2O5S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 1.4828 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.078 |
| Heavy Atoms | 22 |
| Complexity | 581.0008 |
Chemical Identifiers
| CAS Number | 433945-32-5 |
|---|---|
| SMILES | CCC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate (CAS 433945-32-5), with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol. IUPAC: dimethyl 5-(propanoylcarbamothioylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate
The XLogP value of 1.4828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate has 2 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 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate is 433945-32-5.
What is the molecular formula of Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate is C14H16N2O5S.
What is the molecular weight of Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate is 324.08 g/mol.
Where can I buy Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[(propanoylcarbamothioyl)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-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.