A2679/0114168
TL;DR: A2679/0114168 (CAS 348593-07-7) is a chemical compound with molecular formula C28H28ClN3OS and molecular weight 489.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole
Also Known As: A2679/0114168, 3-((2-chlorobenzyl)thio)-5-((4-cyclohexylphenoxy)methyl)-4-phenyl-4H-1,2,4-triazole, 3-[(2-chlorobenzyl)sulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole, 3-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole, 3-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-5-[(4-CYCLOHEXYLPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE
| Molecular Formula | C28H28ClN3OS |
|---|---|
| Molecular Weight | 489.16 g/mol |
| LogP | 7.8397 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.16415 |
| Heavy Atoms | 34 |
| Complexity | 1204.0706 |
Chemical Identifiers
| CAS Number | 348593-07-7 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5Cl |
Product Overview
A2679/0114168 (CAS 348593-07-7), with molecular formula C28H28ClN3OS and molecular weight 489.16 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of A2679/0114168
Property Insights of A2679/0114168
The XLogP value of 7.8397 indicates that A2679/0114168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, A2679/0114168 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2679/0114168 has 0 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 A2679/0114168?
The CAS number of A2679/0114168 is 348593-07-7.
What is the molecular formula of A2679/0114168?
The molecular formula of A2679/0114168 is C28H28ClN3OS.
What is the molecular weight of A2679/0114168?
The molecular weight of A2679/0114168 is 489.16 g/mol.
Where can I buy A2679/0114168?
You can request a quote for A2679/0114168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2679/0114168?
Yes, KEHONG BIO provides custom synthesis services for A2679/0114168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.