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Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate
TL;DR: Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate (CAS 516458-07-4) 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 2-[4-(pyridin-2-ylcarbamothioylamino)phenyl]acetate
Also Known As: methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate, methyl 2-(4-(3-(pyridin-2-yl)thioureido)phenyl)acetate, methyl 2-[4-(pyridin-2-ylcarbamothioylamino)phenyl]acetate, methyl (4-{[(2-pyridinylamino)carbonothioyl]amino}phenyl)acetate, methyl 2-(4-{[(2-pyridylamino)thioxomethyl]amino}phenyl)acetate
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.606 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 614.5757 |
Chemical Identifiers
| CAS Number | 516458-07-4 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2 |
Product Overview
Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate (CAS 516458-07-4), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: methyl 2-[4-(pyridin-2-ylcarbamothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate
Property Insights of Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate
The XLogP value of 2.606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate. Following Lipinski's Rule of Five, Methyl {4-[(pyridin-2-ylcarbamothioyl)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-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate?
The CAS number of Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate is 516458-07-4.
What is the molecular formula of Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate?
The molecular formula of Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate is C15H15N3O2S.
What is the molecular weight of Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate?
The molecular weight of Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate is 301.09 g/mol.
Where can I buy Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate?
You can request a quote for Methyl {4-[(pyridin-2-ylcarbamothioyl)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-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.