BAS 08857825
TL;DR: BAS 08857825 (CAS 701946-01-2) is a chemical compound with molecular formula C17H17FN6O2S2 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: BAS 08857825, N-[(4-ethyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide, N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
| Molecular Formula | C17H17FN6O2S2 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 2.5544 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.08383 |
| Heavy Atoms | 28 |
| Complexity | 960.47565 |
Chemical Identifiers
| CAS Number | 701946-01-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CNC(=O)C3=CC=CC=C3F |
Product Overview
BAS 08857825 (CAS 701946-01-2), with molecular formula C17H17FN6O2S2 and molecular weight 420.08 g/mol. IUPAC: N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of BAS 08857825
Property Insights of BAS 08857825
The XLogP value of 2.5544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08857825. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08857825. Following Lipinski's Rule of Five, BAS 08857825 has 2 hydrogen bond donor(s) and 7 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 BAS 08857825?
The CAS number of BAS 08857825 is 701946-01-2.
What is the molecular formula of BAS 08857825?
The molecular formula of BAS 08857825 is C17H17FN6O2S2.
What is the molecular weight of BAS 08857825?
The molecular weight of BAS 08857825 is 420.08 g/mol.
Where can I buy BAS 08857825?
You can request a quote for BAS 08857825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08857825?
Yes, KEHONG BIO provides custom synthesis services for BAS 08857825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.