ChemDiv1_025939
TL;DR: ChemDiv1_025939 (CAS 337919-51-4) is a chemical compound with molecular formula C27H28N4OS and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione
Also Known As: ChemDiv1_025939, 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione, 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(4-METHOXYPHENYL)-4-PHENYL-1-[(4-PHENYLPIPERIDIN-1-YL)METHYL]-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE, 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenyl-1-piperidinyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C27H28N4OS |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.91599 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.1984 |
| Heavy Atoms | 33 |
| Complexity | 1241.0383 |
Chemical Identifiers
| CAS Number | 337919-51-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCC(CC4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_025939 (CAS 337919-51-4), with molecular formula C27H28N4OS and molecular weight 456.20 g/mol. IUPAC: 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione.
Chemical Property Profile of ChemDiv1_025939
Property Insights of ChemDiv1_025939
The XLogP value of 5.91599 indicates that ChemDiv1_025939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.22 Ų, ChemDiv1_025939 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025939 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 ChemDiv1_025939?
The CAS number of ChemDiv1_025939 is 337919-51-4.
What is the molecular formula of ChemDiv1_025939?
The molecular formula of ChemDiv1_025939 is C27H28N4OS.
What is the molecular weight of ChemDiv1_025939?
The molecular weight of ChemDiv1_025939 is 456.20 g/mol.
Where can I buy ChemDiv1_025939?
You can request a quote for ChemDiv1_025939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025939?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.