AN-698/42116675
TL;DR: AN-698/42116675 (CAS 694476-53-4) is a chemical compound with molecular formula C20H19BrN4O3S and molecular weight 474.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: AN-698/42116675, N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide, N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
| Molecular Formula | C20H19BrN4O3S |
|---|---|
| Molecular Weight | 474.04 g/mol |
| LogP | 3.4912 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.03613 |
| Heavy Atoms | 29 |
| Complexity | 1003.57074 |
Chemical Identifiers
| CAS Number | 694476-53-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
AN-698/42116675 (CAS 694476-53-4), with molecular formula C20H19BrN4O3S and molecular weight 474.04 g/mol. IUPAC: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of AN-698/42116675
Property Insights of AN-698/42116675
The XLogP value of 3.4912 indicates that AN-698/42116675 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116675. Following Lipinski's Rule of Five, AN-698/42116675 has 1 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-698/42116675?
The CAS number of AN-698/42116675 is 694476-53-4.
What is the molecular formula of AN-698/42116675?
The molecular formula of AN-698/42116675 is C20H19BrN4O3S.
What is the molecular weight of AN-698/42116675?
The molecular weight of AN-698/42116675 is 474.04 g/mol.
Where can I buy AN-698/42116675?
You can request a quote for AN-698/42116675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116675?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.