RefChem:448776
TL;DR: RefChem:448776 (CAS 618879-87-1) is a chemical compound with molecular formula C20H22N4OS2 and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethyl-6-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2-ethyl-6-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide, 2-{[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-ETHYL-6-METHYLPHENYL)ACETAMIDE, 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide, 638-247-7
| Molecular Formula | C20H22N4OS2 |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 4.79422 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1235 |
| Heavy Atoms | 27 |
| Complexity | 931.61725 |
Chemical Identifiers
| CAS Number | 618879-87-1 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)C |
Product Overview
RefChem:448776 (CAS 618879-87-1), with molecular formula C20H22N4OS2 and molecular weight 398.12 g/mol. IUPAC: N-(2-ethyl-6-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:448776
Property Insights of RefChem:448776
The XLogP value of 4.79422 indicates that RefChem:448776 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:448776 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448776 has 1 hydrogen bond donor(s) and 5 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:448776?
The CAS number of RefChem:448776 is 618879-87-1.
What is the molecular formula of RefChem:448776?
The molecular formula of RefChem:448776 is C20H22N4OS2.
What is the molecular weight of RefChem:448776?
The molecular weight of RefChem:448776 is 398.12 g/mol.
Where can I buy RefChem:448776?
You can request a quote for RefChem:448776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448776?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.