4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e
TL;DR: 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e (CAS 588685-48-7) is a chemical compound with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[4-methyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl] 4-propoxybenzenecarbothioate
Also Known As: 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e, S-(4-methyl-5-(5-methylthiophen-2-yl)-4H-1,2,4-triazol-3-yl) 4-propoxybenzothioate, S-[4-methyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl] 4-propoxybenzenecarbothioate, S-[4-methyl-5-(5-methylthiophen-2-yl)-4H-1,2,4-triazol-3-yl] 4-propoxybenzenecarbothioate, [4-methyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl-(4-propoxyphenyl)methanone
| Molecular Formula | C18H19N3O2S2 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 4.57332 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.09186 |
| Heavy Atoms | 25 |
| Complexity | 868.83594 |
Chemical Identifiers
| CAS Number | 588685-48-7 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)SC2=NN=C(N2C)C3=CC=C(S3)C |
Product Overview
4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e (CAS 588685-48-7), with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol. IUPAC: S-[4-methyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl] 4-propoxybenzenecarbothioate.
Chemical Property Profile of 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e
Property Insights of 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e
The XLogP value of 4.57332 indicates that 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e has 0 hydrogen bond donor(s) and 6 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-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e?
The CAS number of 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e is 588685-48-7.
What is the molecular formula of 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e?
The molecular formula of 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e is C18H19N3O2S2.
What is the molecular weight of 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e?
The molecular weight of 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e is 373.09 g/mol.
Where can I buy 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e?
You can request a quote for 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-(5-methyl(2-thienyl))(1,2,4-triazol-3-ylthio) 4-propoxyphenyl keton e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.