RefChem:448816
TL;DR: RefChem:448816 (CAS 538337-08-5) is a chemical compound with molecular formula C23H25ClN4OS and molecular weight 440.14 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-chlorophenyl)acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide, 2-((4-Allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide, 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide, 2-((4-Allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-chlorophenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
| Molecular Formula | C23H25ClN4OS |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 5.8128 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.14377 |
| Heavy Atoms | 30 |
| Complexity | 1020.8518 |
Chemical Identifiers
| CAS Number | 538337-08-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
RefChem:448816 (CAS 538337-08-5), with molecular formula C23H25ClN4OS and molecular weight 440.14 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of RefChem:448816
Property Insights of RefChem:448816
The XLogP value of 5.8128 indicates that RefChem:448816 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:448816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448816 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:448816?
The CAS number of RefChem:448816 is 538337-08-5.
What is the molecular formula of RefChem:448816?
The molecular formula of RefChem:448816 is C23H25ClN4OS.
What is the molecular weight of RefChem:448816?
The molecular weight of RefChem:448816 is 440.14 g/mol.
Where can I buy RefChem:448816?
You can request a quote for RefChem:448816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.