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Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate
TL;DR: Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate (CAS 701941-52-8) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2,4-dimethoxyphenyl)carbamothioylamino]benzoate
Also Known As: methyl 3-(3-(2,4-dimethoxyphenyl)thioureido)benzoate, methyl 3-[(2,4-dimethoxyphenyl)carbamothioylamino]benzoate, methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate, methyl 3-({[(2,4-dimethoxyphenyl)amino]thioxomethyl}amino)benzoate
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.2993 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 749.1204 |
Chemical Identifiers
| CAS Number | 701941-52-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OC)OC |
Product Overview
Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate (CAS 701941-52-8), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: methyl 3-[(2,4-dimethoxyphenyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate
Property Insights of Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate
The XLogP value of 3.2993 indicates that Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}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 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate?
The CAS number of Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate is 701941-52-8.
What is the molecular formula of Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate?
The molecular formula of Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate is C17H18N2O4S.
What is the molecular weight of Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate?
The molecular weight of Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate is 346.10 g/mol.
Where can I buy Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate?
You can request a quote for Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(2,4-dimethoxyphenyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.