AN-698/42116620
TL;DR: AN-698/42116620 (CAS 694457-06-2) is a chemical compound with molecular formula C25H31N5O2S and molecular weight 465.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide
Also Known As: AN-698/42116620, N-[1-[4-ethyl-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide, N-{1-[4-ethyl-5-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide, N-[1-(4-ethyl-5-{[2-(mesitylamino)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)ethyl]-3-methylbenzamide
| Molecular Formula | C25H31N5O2S |
|---|---|
| Molecular Weight | 465.22 g/mol |
| LogP | 4.75348 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.21985 |
| Heavy Atoms | 33 |
| Complexity | 1148.3491 |
Chemical Identifiers
| CAS Number | 694457-06-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C(C)NC(=O)C3=CC=CC(=C3)C |
Product Overview
AN-698/42116620 (CAS 694457-06-2), with molecular formula C25H31N5O2S and molecular weight 465.22 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide.
Chemical Property Profile of AN-698/42116620
Property Insights of AN-698/42116620
The XLogP value of 4.75348 indicates that AN-698/42116620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116620. Following Lipinski's Rule of Five, AN-698/42116620 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 AN-698/42116620?
The CAS number of AN-698/42116620 is 694457-06-2.
What is the molecular formula of AN-698/42116620?
The molecular formula of AN-698/42116620 is C25H31N5O2S.
What is the molecular weight of AN-698/42116620?
The molecular weight of AN-698/42116620 is 465.22 g/mol.
Where can I buy AN-698/42116620?
You can request a quote for AN-698/42116620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116620?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.