AN-698/41761088
TL;DR: AN-698/41761088 (CAS 693236-02-1) is a chemical compound with molecular formula C18H23BrN4OS and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
Also Known As: AN-698/41761088, 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide, 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
| Molecular Formula | C18H23BrN4OS |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.2685 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.0776 |
| Heavy Atoms | 25 |
| Complexity | 710.3662 |
Chemical Identifiers
| CAS Number | 693236-02-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)Br |
Product Overview
AN-698/41761088 (CAS 693236-02-1), with molecular formula C18H23BrN4OS and molecular weight 422.08 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide.
Chemical Property Profile of AN-698/41761088
Property Insights of AN-698/41761088
The XLogP value of 4.2685 indicates that AN-698/41761088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AN-698/41761088 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/41761088 has 1 hydrogen bond donor(s) and 4 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-698/41761088?
The CAS number of AN-698/41761088 is 693236-02-1.
What is the molecular formula of AN-698/41761088?
The molecular formula of AN-698/41761088 is C18H23BrN4OS.
What is the molecular weight of AN-698/41761088?
The molecular weight of AN-698/41761088 is 422.08 g/mol.
Where can I buy AN-698/41761088?
You can request a quote for AN-698/41761088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41761088?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41761088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.