RefChem:425750
TL;DR: RefChem:425750 (CAS 540498-29-1) is a chemical compound with molecular formula C26H25N3O2S2 and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: A3181/0134712, 1-(4-Methoxyphenyl)-2-((4-(m-tolyl)-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-methoxyphenyl)-2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-METHOXYPHENYL)-2-((4-(3-METHYLPHENYL)-5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ETHANONE, 1-(4-methoxyphenyl)-2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-ethanone
| Molecular Formula | C26H25N3O2S2 |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 6.16004 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.13882 |
| Heavy Atoms | 33 |
| Complexity | 1235.394 |
Chemical Identifiers
| CAS Number | 540498-29-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC(=C3)C)SCC(=O)C4=CC=C(C=C4)OC |
Product Overview
RefChem:425750 (CAS 540498-29-1), with molecular formula C26H25N3O2S2 and molecular weight 475.14 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of RefChem:425750
Property Insights of RefChem:425750
The XLogP value of 6.16004 indicates that RefChem:425750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, RefChem:425750 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:425750 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:425750?
The CAS number of RefChem:425750 is 540498-29-1.
What is the molecular formula of RefChem:425750?
The molecular formula of RefChem:425750 is C26H25N3O2S2.
What is the molecular weight of RefChem:425750?
The molecular weight of RefChem:425750 is 475.14 g/mol.
Where can I buy RefChem:425750?
You can request a quote for RefChem:425750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:425750?
Yes, KEHONG BIO provides custom synthesis services for RefChem:425750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.