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3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 692763-01-2) is a chemical compound with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: AS-871/43475519, 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, 3-phenylpropyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, 3-phenylpropyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, F3099-5640
| Molecular Formula | C13H16N4O2S |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 1.655 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.0994 |
| Heavy Atoms | 20 |
| Complexity | 544.314 |
Chemical Identifiers
| CAS Number | 692763-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CSC2=NNC(=N2)N |
Product Overview
3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 692763-01-2), with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol. IUPAC: 3-phenylpropyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 1.655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate has 2 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 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 692763-01-2.
What is the molecular formula of 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C13H16N4O2S.
What is the molecular weight of 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 292.10 g/mol.
Where can I buy 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-phenylpropyl [(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.