![Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate structure](/static/products/7082/708292-24-4.webp)
Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
TL;DR: Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate (CAS 708292-24-4) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(6-methyl-2-pyridinyl)carbamothioylamino]benzoate
Also Known As: methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate, methyl 4-(3-(6-methylpyridin-2-yl)thioureido)benzoate, methyl 4-[(6-methylpyridin-2-yl)carbamothioylamino]benzoate, methyl 4-({[(6-methyl(2-pyridyl))amino]thioxomethyl}amino)benzoate, methyl 4-({[(6-methyl-2-pyridinyl)amino]carbonothioyl}amino)benzoate
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.98552 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 656.2232 |
Chemical Identifiers
| CAS Number | 708292-24-4 |
|---|---|
| SMILES | CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate (CAS 708292-24-4), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: methyl 4-[(6-methyl-2-pyridinyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
Property Insights of Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
The XLogP value of 2.98552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate has 2 hydrogen bond donor(s) and 4 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-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate?
The CAS number of Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate is 708292-24-4.
What is the molecular formula of Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate?
The molecular formula of Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate is C15H15N3O2S.
What is the molecular weight of Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate?
The molecular weight of Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate is 301.09 g/mol.
Where can I buy Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate?
You can request a quote for Methyl 4-{[(6-methylpyridin-2-yl)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 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.