![Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate structure](/static/products/4284/428471-49-2.webp)
Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
TL;DR: Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate (CAS 428471-49-2) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
Also Known As: methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate, AB00108294-01, methyl 2-({[(4-isopropoxybenzoyl)amino]carbothioyl}amino)benzoate, methyl 2-(3-(4-isopropoxybenzoyl)thioureido)benzoate, methyl 2-({[(4-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoate
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.3872 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 803.44135 |
Chemical Identifiers
| CAS Number | 428471-49-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate (CAS 428471-49-2), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
Property Insights of Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
The XLogP value of 3.3872 indicates that Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate 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 Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate?
The CAS number of Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate is 428471-49-2.
What is the molecular formula of Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate?
The molecular formula of Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate is C19H20N2O4S.
What is the molecular weight of Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate?
The molecular weight of Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate is 372.11 g/mol.
Where can I buy Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate?
You can request a quote for Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.