RefChem:448634
TL;DR: RefChem:448634 (CAS 540775-02-8) is a chemical compound with molecular formula C22H23ClN4OS2 and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide, 2-((4-Allyl-5-(((4-methylphenyl)sulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide, 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide, 644-635-7, N-(3-chloro-2-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H23ClN4OS2 |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 5.75744 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.1002 |
| Heavy Atoms | 30 |
| Complexity | 1034.1168 |
Chemical Identifiers
| CAS Number | 540775-02-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C(=CC=C3)Cl)C |
Product Overview
RefChem:448634 (CAS 540775-02-8), with molecular formula C22H23ClN4OS2 and molecular weight 458.10 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:448634
Property Insights of RefChem:448634
The XLogP value of 5.75744 indicates that RefChem:448634 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:448634 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448634 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:448634?
The CAS number of RefChem:448634 is 540775-02-8.
What is the molecular formula of RefChem:448634?
The molecular formula of RefChem:448634 is C22H23ClN4OS2.
What is the molecular weight of RefChem:448634?
The molecular weight of RefChem:448634 is 458.10 g/mol.
Where can I buy RefChem:448634?
You can request a quote for RefChem:448634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448634?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.