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Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate
TL;DR: Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate (CAS 429620-22-4) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate
Also Known As: AB00110227-01, AN-648/40682780, methyl 4-(3-(2-methoxybenzoyl)thioureido)benzoate, methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate, methyl 4-({[(2-methoxybenzoyl)amino]carbothioyl}amino)benzoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.6086 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 759.4408 |
Chemical Identifiers
| CAS Number | 429620-22-4 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate (CAS 429620-22-4), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate
Property Insights of Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate
The XLogP value of 2.6086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(2-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 Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate?
The CAS number of Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate is 429620-22-4.
What is the molecular formula of Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate?
The molecular formula of Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate is C17H16N2O4S.
What is the molecular weight of Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate?
The molecular weight of Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate is 344.08 g/mol.
Where can I buy Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate?
You can request a quote for Methyl 4-[(2-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 Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2-methoxybenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.