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Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate
TL;DR: Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate (CAS 457953-31-0) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate
Also Known As: AB00685775-01, F1238-0008, ethyl 4-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate, ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate, ethyl 4-[4-phenyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylthio]butyrate
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.7647 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 837.2602 |
Chemical Identifiers
| CAS Number | 457953-31-0 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3 |
Product Overview
Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate (CAS 457953-31-0), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate.
Chemical Property Profile of Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate
Property Insights of Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate
The XLogP value of 3.7647 indicates that Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate has 0 hydrogen bond donor(s) and 6 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-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate?
The CAS number of Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate is 457953-31-0.
What is the molecular formula of Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate?
The molecular formula of Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate is C19H20N4O2S.
What is the molecular weight of Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate?
The molecular weight of Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate is 368.13 g/mol.
Where can I buy Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate?
You can request a quote for Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.