BAS 01810661
TL;DR: BAS 01810661 (CAS 361165-08-4) is a chemical compound with molecular formula C19H17ClFN5OS and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01810661, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide, (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-(2-CL-6-F-BENZYLIDENE)2-((4-ET-5-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETOHYDRAZIDE, N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H17ClFN5OS |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 3.9999 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.08264 |
| Heavy Atoms | 28 |
| Complexity | 972.994 |
Chemical Identifiers
| CAS Number | 361165-08-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC=C2Cl)F)C3=CC=CC=C3 |
Product Overview
BAS 01810661 (CAS 361165-08-4), with molecular formula C19H17ClFN5OS and molecular weight 417.08 g/mol. IUPAC: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 01810661
Property Insights of BAS 01810661
The XLogP value of 3.9999 indicates that BAS 01810661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01810661. Following Lipinski's Rule of Five, BAS 01810661 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 BAS 01810661?
The CAS number of BAS 01810661 is 361165-08-4.
What is the molecular formula of BAS 01810661?
The molecular formula of BAS 01810661 is C19H17ClFN5OS.
What is the molecular weight of BAS 01810661?
The molecular weight of BAS 01810661 is 417.08 g/mol.
Where can I buy BAS 01810661?
You can request a quote for BAS 01810661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810661?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.