RefChem:448636
TL;DR: RefChem:448636 (CAS 540774-99-0) is a chemical compound with molecular formula C22H24N4OS2 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: Salor-int l445150-1ea, 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide, 2-((4-Allyl-5-(((4-methylphenyl)sulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-methylphenyl)acetamide, 644-632-0
| Molecular Formula | C22H24N4OS2 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 5.10404 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.13916 |
| Heavy Atoms | 29 |
| Complexity | 982.7323 |
Chemical Identifiers
| CAS Number | 540774-99-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C |
Product Overview
RefChem:448636 (CAS 540774-99-0), with molecular formula C22H24N4OS2 and molecular weight 424.14 g/mol. IUPAC: N-(3-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:448636
Property Insights of RefChem:448636
The XLogP value of 5.10404 indicates that RefChem:448636 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:448636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448636 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448636?
The CAS number of RefChem:448636 is 540774-99-0.
What is the molecular formula of RefChem:448636?
The molecular formula of RefChem:448636 is C22H24N4OS2.
What is the molecular weight of RefChem:448636?
The molecular weight of RefChem:448636 is 424.14 g/mol.
Where can I buy RefChem:448636?
You can request a quote for RefChem:448636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448636?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.