![2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one structure](/static/products/6906/690646-44-7.webp)
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one
TL;DR: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one (CAS 690646-44-7) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
Also Known As: CBKinase1_007921, CBKinase1_020321, VU0618402-1, F3394-1155, BRD-K42148757-001-01-5
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 3.0289 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 768.3546 |
Chemical Identifiers
| CAS Number | 690646-44-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)N |
Product Overview
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one (CAS 690646-44-7), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylphenyl)ethanone.
Chemical Property Profile of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one
Property Insights of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one
The XLogP value of 3.0289 indicates that 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one. Following Lipinski's Rule of Five, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one has 2 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 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one?
The CAS number of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one is 690646-44-7.
What is the molecular formula of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one?
The molecular formula of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one is C16H14N4OS.
What is the molecular weight of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one?
The molecular weight of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one is 310.09 g/mol.
Where can I buy 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one?
You can request a quote for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-{[1,1'-biphenyl]-4-yl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.