AN-698/42587957
TL;DR: AN-698/42587957 (CAS 701944-64-1) is a chemical compound with molecular formula C25H29N5O2S and molecular weight 463.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: AN-698/42587957, 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone, 4-[(4-allyl-5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]phenyl methyl ether
| Molecular Formula | C25H29N5O2S |
|---|---|
| Molecular Weight | 463.20 g/mol |
| LogP | 3.5044 |
| Topological Polar Surface Area | 63.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.2042 |
| Heavy Atoms | 33 |
| Complexity | 1060.1611 |
Chemical Identifiers
| CAS Number | 701944-64-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
AN-698/42587957 (CAS 701944-64-1), with molecular formula C25H29N5O2S and molecular weight 463.20 g/mol. IUPAC: 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of AN-698/42587957
Property Insights of AN-698/42587957
The XLogP value of 3.5044 indicates that AN-698/42587957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42587957. Following Lipinski's Rule of Five, AN-698/42587957 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 AN-698/42587957?
The CAS number of AN-698/42587957 is 701944-64-1.
What is the molecular formula of AN-698/42587957?
The molecular formula of AN-698/42587957 is C25H29N5O2S.
What is the molecular weight of AN-698/42587957?
The molecular weight of AN-698/42587957 is 463.20 g/mol.
Where can I buy AN-698/42587957?
You can request a quote for AN-698/42587957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42587957?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42587957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.