RefChem:449174
TL;DR: RefChem:449174 (CAS 303102-69-4) is a chemical compound with molecular formula C21H23N5O4S and molecular weight 441.15 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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Also Known As: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide, 2-((4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-(4-HYDROXY-3-METHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE, 652-285-1, RefChem:449174
| Molecular Formula | C21H23N5O4S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 2.9302 |
| Topological Polar Surface Area | 110.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.14706 |
| Heavy Atoms | 31 |
| Complexity | 1066.1321 |
Chemical Identifiers
| CAS Number | 303102-69-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)O)OC)C3=CC=C(C=C3)OC |
Product Overview
RefChem:449174 (CAS 303102-69-4), with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449174
Property Insights of RefChem:449174
The XLogP value of 2.9302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:449174. The TPSA of 110.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449174. Following Lipinski's Rule of Five, RefChem:449174 has 2 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 RefChem:449174?
The CAS number of RefChem:449174 is 303102-69-4.
What is the molecular formula of RefChem:449174?
The molecular formula of RefChem:449174 is C21H23N5O4S.
What is the molecular weight of RefChem:449174?
The molecular weight of RefChem:449174 is 441.15 g/mol.
Where can I buy RefChem:449174?
You can request a quote for RefChem:449174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449174?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.