AN-698/42116900
TL;DR: AN-698/42116900 (CAS 694468-29-6) is a chemical compound with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: AN-698/42116900, 1-(4-bromophenyl)-2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)ethanone, 1-(4-bromophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C18H15BrN2O3S |
|---|---|
| Molecular Weight | 418.00 g/mol |
| LogP | 4.69452 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.9987 |
| Heavy Atoms | 25 |
| Complexity | 847.5176 |
Chemical Identifiers
| CAS Number | 694468-29-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
AN-698/42116900 (CAS 694468-29-6), with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of AN-698/42116900
Property Insights of AN-698/42116900
The XLogP value of 4.69452 indicates that AN-698/42116900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116900. Following Lipinski's Rule of Five, AN-698/42116900 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-698/42116900?
The CAS number of AN-698/42116900 is 694468-29-6.
What is the molecular formula of AN-698/42116900?
The molecular formula of AN-698/42116900 is C18H15BrN2O3S.
What is the molecular weight of AN-698/42116900?
The molecular weight of AN-698/42116900 is 418.00 g/mol.
Where can I buy AN-698/42116900?
You can request a quote for AN-698/42116900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116900?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.