RefChem:448817
TL;DR: RefChem:448817 (CAS 539812-49-2) is a chemical compound with molecular formula C24H28N4OS and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: 2-((4-Allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, 2-{[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-METHYLPHENYL)ACETAMIDE, 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide, 2-((4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE, 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C24H28N4OS |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 5.46782 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.1984 |
| Heavy Atoms | 30 |
| Complexity | 1014.8547 |
Chemical Identifiers
| CAS Number | 539812-49-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
RefChem:448817 (CAS 539812-49-2), with molecular formula C24H28N4OS and molecular weight 420.20 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of RefChem:448817
Property Insights of RefChem:448817
The XLogP value of 5.46782 indicates that RefChem:448817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, RefChem:448817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448817 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448817?
The CAS number of RefChem:448817 is 539812-49-2.
What is the molecular formula of RefChem:448817?
The molecular formula of RefChem:448817 is C24H28N4OS.
What is the molecular weight of RefChem:448817?
The molecular weight of RefChem:448817 is 420.20 g/mol.
Where can I buy RefChem:448817?
You can request a quote for RefChem:448817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.