![Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate structure](/static/products/4454/445420-53-1.webp)
Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate
TL;DR: Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate (CAS 445420-53-1) is a chemical compound with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: AN-465/41169367, dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate, dimethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)isophthalate, dimethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate, dimethyl 5-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C22H24N2O5S |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.6841 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.1406 |
| Heavy Atoms | 30 |
| Complexity | 943.7627 |
Chemical Identifiers
| CAS Number | 445420-53-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate (CAS 445420-53-1), with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol. IUPAC: dimethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate
Property Insights of Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate
The XLogP value of 3.6841 indicates that Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate 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-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate?
The CAS number of Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate is 445420-53-1.
What is the molecular formula of Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate?
The molecular formula of Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate is C22H24N2O5S.
What is the molecular weight of Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate?
The molecular weight of Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate is 428.14 g/mol.
Where can I buy Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate?
You can request a quote for Dimethyl 5-({[(4-tert-butylbenzoyl)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-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.