RefChem:448811
TL;DR: RefChem:448811 (CAS 538337-07-4) is a chemical compound with molecular formula C25H30N4OS and molecular weight 434.21 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-(2,3-dimethylphenyl)acetamide
Also Known As: 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide, 2-((4-Allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dimethylphenyl)acetamide, 2-((4-Allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,3-dimethylphenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide, 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
| Molecular Formula | C25H30N4OS |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | 5.77624 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.21402 |
| Heavy Atoms | 31 |
| Complexity | 1077.8917 |
Chemical Identifiers
| CAS Number | 538337-07-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C)C |
Product Overview
RefChem:448811 (CAS 538337-07-4), with molecular formula C25H30N4OS and molecular weight 434.21 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
Chemical Property Profile of RefChem:448811
Property Insights of RefChem:448811
The XLogP value of 5.77624 indicates that RefChem:448811 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:448811 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448811 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:448811?
The CAS number of RefChem:448811 is 538337-07-4.
What is the molecular formula of RefChem:448811?
The molecular formula of RefChem:448811 is C25H30N4OS.
What is the molecular weight of RefChem:448811?
The molecular weight of RefChem:448811 is 434.21 g/mol.
Where can I buy RefChem:448811?
You can request a quote for RefChem:448811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.