BAS 01810671
TL;DR: BAS 01810671 (CAS 361165-15-3) is a chemical compound with molecular formula C22H25N5O4S and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
Also Known As: BAS 01810671, 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide, (E)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide, 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide, N-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-2-(4-ethyl-5-phenyl(1,2,4-triaz ol-3-ylthio))acetamide
| Molecular Formula | C22H25N5O4S |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 3.2332 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.16272 |
| Heavy Atoms | 32 |
| Complexity | 1060.1753 |
Chemical Identifiers
| CAS Number | 361165-15-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3 |
Product Overview
BAS 01810671 (CAS 361165-15-3), with molecular formula C22H25N5O4S and molecular weight 455.16 g/mol. IUPAC: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 01810671
Property Insights of BAS 01810671
The XLogP value of 3.2332 indicates that BAS 01810671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01810671. Following Lipinski's Rule of Five, BAS 01810671 has 1 hydrogen bond donor(s) and 8 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 01810671?
The CAS number of BAS 01810671 is 361165-15-3.
What is the molecular formula of BAS 01810671?
The molecular formula of BAS 01810671 is C22H25N5O4S.
What is the molecular weight of BAS 01810671?
The molecular weight of BAS 01810671 is 455.16 g/mol.
Where can I buy BAS 01810671?
You can request a quote for BAS 01810671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810671?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.