Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate
TL;DR: Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate (CAS 380889-18-9) is a chemical compound with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate, dimethyl 5-({[(4-methylphenoxy)acetyl]carbamothioyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate
| Molecular Formula | C20H20N2O6S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 2.46022 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.10422 |
| Heavy Atoms | 29 |
| Complexity | 892.8187 |
Chemical Identifiers
| CAS Number | 380889-18-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate (CAS 380889-18-9), with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol. IUPAC: dimethyl 5-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate
Property Insights of Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate
The XLogP value of 2.46022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)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-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate?
The CAS number of Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate is 380889-18-9.
What is the molecular formula of Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate?
The molecular formula of Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate is C20H20N2O6S.
What is the molecular weight of Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate?
The molecular weight of Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate is 416.10 g/mol.
Where can I buy Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate?
You can request a quote for Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)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-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(3-(2-(p-tolyloxy)acetyl)thioureido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.