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Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate
TL;DR: Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate (CAS 430452-99-6) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate
Also Known As: AB00112635-01, ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate, AN-648/40682727, ethyl 4-(3-(3-methoxybenzoyl)thioureido)benzoate, ethyl 4-({[(3-methoxybenzoyl)amino]carbothioyl}amino)benzoate
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.9987 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 774.90045 |
Chemical Identifiers
| CAS Number | 430452-99-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC |
Product Overview
Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate (CAS 430452-99-6), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate
Property Insights of Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate
The XLogP value of 2.9987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(3-methoxybenzoyl)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 Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate?
The CAS number of Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate is 430452-99-6.
What is the molecular formula of Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate?
The molecular formula of Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate is C18H18N2O4S.
What is the molecular weight of Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate?
The molecular weight of Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate is 358.10 g/mol.
Where can I buy Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate?
You can request a quote for Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.