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Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate
TL;DR: Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate (CAS 713080-75-2) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate
Also Known As: BAS 09646787, ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate, ethyl 4-(2-(pyridin-2-ylthio)butanamido)benzoate, ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate, 4-[2-(Pyridin-2-ylsulfanyl)-butyrylamino]-benzoic acid ethyl ester
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 3.7677 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 674.42303 |
Chemical Identifiers
| CAS Number | 713080-75-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC=N2 |
Product Overview
Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate (CAS 713080-75-2), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate.
Chemical Property Profile of Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate
Property Insights of Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate
The XLogP value of 3.7677 indicates that Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]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 Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate?
The CAS number of Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate is 713080-75-2.
What is the molecular formula of Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate?
The molecular formula of Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate is C18H20N2O3S.
What is the molecular weight of Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate?
The molecular weight of Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate is 344.12 g/mol.
Where can I buy Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate?
You can request a quote for Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-(pyridin-2-ylsulfanyl)butanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.