AN-698/42116690
TL;DR: AN-698/42116690 (CAS 665018-60-0) is a chemical compound with molecular formula C20H19BrN4O2S and molecular weight 458.04 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]-3-methylbenzamide
Also Known As: AN-698/42116690, N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide, N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide, N-[(5-{[2-(4-BROMOPHENYL)-2-OXOETHYL]SULFANYL}-4-METHYL-1,2,4-TRIAZOL-3-YL)METHYL]-3-METHYLBENZAMIDE
| Molecular Formula | C20H19BrN4O2S |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 3.79102 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.0412 |
| Heavy Atoms | 28 |
| Complexity | 1001.6952 |
Chemical Identifiers
| CAS Number | 665018-60-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
AN-698/42116690 (CAS 665018-60-0), with molecular formula C20H19BrN4O2S and molecular weight 458.04 g/mol. IUPAC: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
Chemical Property Profile of AN-698/42116690
Property Insights of AN-698/42116690
The XLogP value of 3.79102 indicates that AN-698/42116690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116690. Following Lipinski's Rule of Five, AN-698/42116690 has 1 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-698/42116690?
The CAS number of AN-698/42116690 is 665018-60-0.
What is the molecular formula of AN-698/42116690?
The molecular formula of AN-698/42116690 is C20H19BrN4O2S.
What is the molecular weight of AN-698/42116690?
The molecular weight of AN-698/42116690 is 458.04 g/mol.
Where can I buy AN-698/42116690?
You can request a quote for AN-698/42116690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116690?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.