A1809/0076453
TL;DR: A1809/0076453 (CAS 312289-60-4) is a chemical compound with molecular formula C28H36N4OS and molecular weight 476.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione
Also Known As: A1809/0076453, 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-[(4-Cyclohexylphenoxy)methyl]-2,4-dihydro-2-[(4-methyl-1-piperidinyl)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione, 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione, 3-[(4-CYCLOHEXYLPHENOXY)METHYL]-1-[(4-METHYLPIPERIDIN-1-YL)METHYL]-4-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C28H36N4OS |
|---|---|
| Molecular Weight | 476.26 g/mol |
| LogP | 6.71939 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.261 |
| Heavy Atoms | 34 |
| Complexity | 1107.5579 |
Chemical Identifiers
| CAS Number | 312289-60-4 |
|---|---|
| SMILES | CC1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5 |
Product Overview
A1809/0076453 (CAS 312289-60-4), with molecular formula C28H36N4OS and molecular weight 476.26 g/mol. IUPAC: 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of A1809/0076453
Property Insights of A1809/0076453
The XLogP value of 6.71939 indicates that A1809/0076453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.22 Ų, A1809/0076453 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1809/0076453 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 A1809/0076453?
The CAS number of A1809/0076453 is 312289-60-4.
What is the molecular formula of A1809/0076453?
The molecular formula of A1809/0076453 is C28H36N4OS.
What is the molecular weight of A1809/0076453?
The molecular weight of A1809/0076453 is 476.26 g/mol.
Where can I buy A1809/0076453?
You can request a quote for A1809/0076453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1809/0076453?
Yes, KEHONG BIO provides custom synthesis services for A1809/0076453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.