AN-698/42113854
TL;DR: AN-698/42113854 (CAS 114246-58-1) is a chemical compound with molecular formula C22H24N4OS and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: AN-698/42113854, 2-{[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone, 2-[[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone, 2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone, 2-oxo-2-(1-pyrrolidinyl)ethyl 4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C22H24N4OS |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 3.767 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.16708 |
| Heavy Atoms | 28 |
| Complexity | 904.8009 |
Chemical Identifiers
| CAS Number | 114246-58-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4 |
Product Overview
AN-698/42113854 (CAS 114246-58-1), with molecular formula C22H24N4OS and molecular weight 392.17 g/mol. IUPAC: 2-[[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of AN-698/42113854
Property Insights of AN-698/42113854
The XLogP value of 3.767 indicates that AN-698/42113854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, AN-698/42113854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/42113854 has 0 hydrogen bond donor(s) and 4 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 AN-698/42113854?
The CAS number of AN-698/42113854 is 114246-58-1.
What is the molecular formula of AN-698/42113854?
The molecular formula of AN-698/42113854 is C22H24N4OS.
What is the molecular weight of AN-698/42113854?
The molecular weight of AN-698/42113854 is 392.17 g/mol.
Where can I buy AN-698/42113854?
You can request a quote for AN-698/42113854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42113854?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42113854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.