![Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate structure](/static/products/825/825655-62-7.png)
Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate
TL;DR: Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate (CAS 825655-62-7) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-pyridin-2-ylsulfanylpropanoylamino)benzoate
Also Known As: methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate, methyl 4-(2-(2-pyridylthio)propanoylamino)benzoate, methyl 4-(2-(pyridin-2-ylthio)propanamido)benzoate, methyl 4-(2-pyridin-2-ylsulfanylpropanoylamino)benzoate, METHYL 4-[2-(PYRIDIN-2-YLSULFANYL)PROPANAMIDO]BENZOATE
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.9875 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 644.2003 |
Chemical Identifiers
| CAS Number | 825655-62-7 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=CC=CC=N2 |
Product Overview
Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate (CAS 825655-62-7), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: methyl 4-(2-pyridin-2-ylsulfanylpropanoylamino)benzoate.
Chemical Property Profile of Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate
Property Insights of Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate
The XLogP value of 2.9875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate has 1 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-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate?
The CAS number of Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate is 825655-62-7.
What is the molecular formula of Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate?
The molecular formula of Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate is C16H16N2O3S.
What is the molecular weight of Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate?
The molecular weight of Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate is 316.09 g/mol.
Where can I buy Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate?
You can request a quote for Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]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-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[2-(pyridin-2-ylsulfanyl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.