BAS 01810823
TL;DR: BAS 01810823 (CAS 303102-72-9) is a chemical compound with molecular formula C19H20N6O2S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
Also Known As: BAS 01810823, (E)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-2-ylmethylene)acetohydrazide, 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-2-pyridinylmethylidene]acetohydrazide, N-((1E)-2-(2-pyridyl)-1-azavinyl)-2-[4-ethyl-5-(4-methoxyphenyl)(1,2,4-triazol -3-ylthio)]acetamide
| Molecular Formula | C19H20N6O2S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 2.611 |
| Topological Polar Surface Area | 94.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.13684 |
| Heavy Atoms | 28 |
| Complexity | 940.8175 |
Chemical Identifiers
| CAS Number | 303102-72-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=N2)C3=CC=C(C=C3)OC |
Product Overview
BAS 01810823 (CAS 303102-72-9), with molecular formula C19H20N6O2S and molecular weight 396.14 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
Chemical Property Profile of BAS 01810823
Property Insights of BAS 01810823
The XLogP value of 2.611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01810823. The TPSA of 94.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01810823. Following Lipinski's Rule of Five, BAS 01810823 has 1 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 01810823?
The CAS number of BAS 01810823 is 303102-72-9.
What is the molecular formula of BAS 01810823?
The molecular formula of BAS 01810823 is C19H20N6O2S.
What is the molecular weight of BAS 01810823?
The molecular weight of BAS 01810823 is 396.14 g/mol.
Where can I buy BAS 01810823?
You can request a quote for BAS 01810823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810823?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.