AN-698/42116855
TL;DR: AN-698/42116855 (CAS 694463-14-4) is a chemical compound with molecular formula C21H22BrN3O3S and molecular weight 475.06 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-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: AN-698/42116855, N-(4-bromo-2,3-dimethylphenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide, N-(4-bromo-2,3-dimethylphenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C21H22BrN3O3S |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 5.37558 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.05652 |
| Heavy Atoms | 29 |
| Complexity | 1015.7559 |
Chemical Identifiers
| CAS Number | 694463-14-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)SCC(=O)NC3=C(C(=C(C=C3)Br)C)C |
Product Overview
AN-698/42116855 (CAS 694463-14-4), with molecular formula C21H22BrN3O3S and molecular weight 475.06 g/mol. IUPAC: N-(4-bromo-2,3-dimethylphenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42116855
Property Insights of AN-698/42116855
The XLogP value of 5.37558 indicates that AN-698/42116855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116855. Following Lipinski's Rule of Five, AN-698/42116855 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/42116855?
The CAS number of AN-698/42116855 is 694463-14-4.
What is the molecular formula of AN-698/42116855?
The molecular formula of AN-698/42116855 is C21H22BrN3O3S.
What is the molecular weight of AN-698/42116855?
The molecular weight of AN-698/42116855 is 475.06 g/mol.
Where can I buy AN-698/42116855?
You can request a quote for AN-698/42116855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116855?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.