RefChem:449161
TL;DR: RefChem:449161 (CAS 303102-86-5) is a chemical compound with molecular formula C19H22N6O2S and molecular weight 398.15 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)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Also Known As: BAS 01810843, BIM-0039806.P001, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(1-methyl-1H-pyrrol-2-yl)methylene]acetohydrazide, 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
| Molecular Formula | C19H22N6O2S |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.5545 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1525 |
| Heavy Atoms | 28 |
| Complexity | 961.2216 |
Chemical Identifiers
| CAS Number | 303102-86-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CN2C)C3=CC=C(C=C3)OC |
Product Overview
RefChem:449161 (CAS 303102-86-5), with molecular formula C19H22N6O2S and molecular weight 398.15 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449161
Property Insights of RefChem:449161
The XLogP value of 2.5545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:449161. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449161. Following Lipinski's Rule of Five, RefChem:449161 has 1 hydrogen bond donor(s) and 6 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 RefChem:449161?
The CAS number of RefChem:449161 is 303102-86-5.
What is the molecular formula of RefChem:449161?
The molecular formula of RefChem:449161 is C19H22N6O2S.
What is the molecular weight of RefChem:449161?
The molecular weight of RefChem:449161 is 398.15 g/mol.
Where can I buy RefChem:449161?
You can request a quote for RefChem:449161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449161?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.