F2650-0097
TL;DR: F2650-0097 (CAS 886933-53-5) is a chemical compound with molecular formula C21H20N6OS and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: F2650-0097, N-(2,6-dimethylphenyl)-2-{[5-(pyridin-3-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,6-dimethylphenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,6-dimethylphenyl)-2-((5-(pyridin-3-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C21H20N6OS |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 3.80064 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14194 |
| Heavy Atoms | 29 |
| Complexity | 1101.301 |
Chemical Identifiers
| CAS Number | 886933-53-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CN=CC=C4 |
Product Overview
F2650-0097 (CAS 886933-53-5), with molecular formula C21H20N6OS and molecular weight 404.14 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of F2650-0097
Property Insights of F2650-0097
The XLogP value of 3.80064 indicates that F2650-0097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for F2650-0097. Following Lipinski's Rule of Five, F2650-0097 has 1 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 F2650-0097?
The CAS number of F2650-0097 is 886933-53-5.
What is the molecular formula of F2650-0097?
The molecular formula of F2650-0097 is C21H20N6OS.
What is the molecular weight of F2650-0097?
The molecular weight of F2650-0097 is 404.14 g/mol.
Where can I buy F2650-0097?
You can request a quote for F2650-0097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2650-0097?
Yes, KEHONG BIO provides custom synthesis services for F2650-0097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.