AN-698/42115893
TL;DR: AN-698/42115893 (CAS 713097-77-9) is a chemical compound with molecular formula C17H15BrFN5OS and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
Also Known As: AN-698/42115893, 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-fluorophenyl)acetamide, 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
| Molecular Formula | C17H15BrFN5OS |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 3.59972 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.01648 |
| Heavy Atoms | 26 |
| Complexity | 962.07635 |
Chemical Identifiers
| CAS Number | 713097-77-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)F |
Product Overview
AN-698/42115893 (CAS 713097-77-9), with molecular formula C17H15BrFN5OS and molecular weight 435.02 g/mol. IUPAC: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide.
Chemical Property Profile of AN-698/42115893
Property Insights of AN-698/42115893
The XLogP value of 3.59972 indicates that AN-698/42115893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42115893. Following Lipinski's Rule of Five, AN-698/42115893 has 2 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-698/42115893?
The CAS number of AN-698/42115893 is 713097-77-9.
What is the molecular formula of AN-698/42115893?
The molecular formula of AN-698/42115893 is C17H15BrFN5OS.
What is the molecular weight of AN-698/42115893?
The molecular weight of AN-698/42115893 is 435.02 g/mol.
Where can I buy AN-698/42115893?
You can request a quote for AN-698/42115893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42115893?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42115893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.