![Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate structure](/static/products/833/833431-69-9.png)
Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate
TL;DR: Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate (CAS 833431-69-9) 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-methoxy-3-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: AP-970/43373947, dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate, dimethyl 5-(3-(2-methoxy-3-methylbenzoyl)thioureido)isophthalate, dimethyl 5-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate, dimethyl 5-({[(2-methoxy-3-methylphenyl)carbonyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C20H20N2O6S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 2.70362 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.10422 |
| Heavy Atoms | 29 |
| Complexity | 939.18896 |
Chemical Identifiers
| CAS Number | 833431-69-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC |
Product Overview
Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate (CAS 833431-69-9), with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol. IUPAC: dimethyl 5-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate
Property Insights of Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate
The XLogP value of 2.70362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}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-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate?
The CAS number of Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate is 833431-69-9.
What is the molecular formula of Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate?
The molecular formula of Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate is C20H20N2O6S.
What is the molecular weight of Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate?
The molecular weight of Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate is 416.10 g/mol.
Where can I buy Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate?
You can request a quote for Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}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-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-({[(2-methoxy-3-methylbenzoyl)amino]carbothioyl}amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.