C21H22N4S
TL;DR: C21H22N4S (CAS 489403-58-9) is a chemical compound with molecular formula C21H22N4S and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-(([1,1'-biphenyl]-4-ylmethylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol, 4-(((1,1'-BIPHENYL)-4-YLMETHYLENE)AMINO)-5-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H22N4S |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 5.53759 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.15652 |
| Heavy Atoms | 26 |
| Complexity | 932.14734 |
Chemical Identifiers
| CAS Number | 489403-58-9 |
|---|---|
| SMILES | C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
C21H22N4S (CAS 489403-58-9), with molecular formula C21H22N4S and molecular weight 362.16 g/mol. IUPAC: 3-cyclohexyl-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C21H22N4S
Property Insights of C21H22N4S
The XLogP value of 5.53759 indicates that C21H22N4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, C21H22N4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H22N4S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H22N4S?
The CAS number of C21H22N4S is 489403-58-9.
What is the molecular formula of C21H22N4S?
The molecular formula of C21H22N4S is C21H22N4S.
What is the molecular weight of C21H22N4S?
The molecular weight of C21H22N4S is 362.16 g/mol.
Where can I buy C21H22N4S?
You can request a quote for C21H22N4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22N4S?
Yes, KEHONG BIO provides custom synthesis services for C21H22N4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.