![Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate structure](/static/products/7082/708248-89-9.webp)
Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate
TL;DR: Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate (CAS 708248-89-9) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(6-methyl-2-pyridinyl)carbamothioylamino]phenyl]acetate
Also Known As: methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate, methyl 2-(4-(3-(6-methylpyridin-2-yl)thioureido)phenyl)acetate, methyl [4-({[(6-methyl-2-pyridinyl)amino]carbonothioyl}amino)phenyl]acetate, methyl 2-[4-[(6-methylpyridin-2-yl)carbamothioylamino]phenyl]acetate, methyl 2-[4-({[(6-methyl(2-pyridyl))amino]thioxomethyl}amino)phenyl]acetate
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.91442 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 671.34607 |
Chemical Identifiers
| CAS Number | 708248-89-9 |
|---|---|
| SMILES | CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)OC |
Product Overview
Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate (CAS 708248-89-9), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: methyl 2-[4-[(6-methyl-2-pyridinyl)carbamothioylamino]phenyl]acetate.
Chemical Property Profile of Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate
Property Insights of Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate
The XLogP value of 2.91442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate. 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}phenyl)acetate. Following Lipinski's Rule of Five, Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate 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}phenyl)acetate?
The CAS number of Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate is 708248-89-9.
What is the molecular formula of Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate?
The molecular formula of Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate is C16H17N3O2S.
What is the molecular weight of Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate?
The molecular weight of Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate is 315.10 g/mol.
Where can I buy Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate?
You can request a quote for Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate 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}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.