4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 351065-73-1) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohex-2-en-1-yl-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: ChemDiv3_003704, IDI1_021614, BRD-A62308220-001-01-1, 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-cyclohex-2-enyl-3-(4-ethoxyphenyl)-1,2,4-triazoline-5-thione
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 4.28759 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 684.2928 |
Chemical Identifiers
| CAS Number | 351065-73-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2C3CCCC=C3 |
Product Overview
4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 351065-73-1), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 4-cyclohex-2-en-1-yl-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.28759 indicates that 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 351065-73-1.
What is the molecular formula of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C16H19N3OS.
What is the molecular weight of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 301.12 g/mol.
Where can I buy 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(cyclohex-2-en-1-yl)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.