AN-698/42116854
TL;DR: AN-698/42116854 (CAS 694458-24-7) is a chemical compound with molecular formula C19H18BrN3O2S and molecular weight 431.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: AN-698/42116854, N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide, N-(4-bromo-2,3-dimethylphenyl)-2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C19H18BrN3O2S |
|---|---|
| Molecular Weight | 431.03 g/mol |
| LogP | 5.15516 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.0303 |
| Heavy Atoms | 26 |
| Complexity | 955.70734 |
Chemical Identifiers
| CAS Number | 694458-24-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(O2)SCC(=O)NC3=C(C(=C(C=C3)Br)C)C |
Product Overview
AN-698/42116854 (CAS 694458-24-7), with molecular formula C19H18BrN3O2S and molecular weight 431.03 g/mol. IUPAC: N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42116854
Property Insights of AN-698/42116854
The XLogP value of 5.15516 indicates that AN-698/42116854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116854. Following Lipinski's Rule of Five, AN-698/42116854 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/42116854?
The CAS number of AN-698/42116854 is 694458-24-7.
What is the molecular formula of AN-698/42116854?
The molecular formula of AN-698/42116854 is C19H18BrN3O2S.
What is the molecular weight of AN-698/42116854?
The molecular weight of AN-698/42116854 is 431.03 g/mol.
Where can I buy AN-698/42116854?
You can request a quote for AN-698/42116854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116854?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.