(2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate
TL;DR: (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate (CAS 876868-98-3) is a chemical compound with molecular formula C25H30N2O3S and molecular weight 438.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-tert-butyl-3-methyl-4-phenylsulfanylpyrazol-5-yl) 4-butoxybenzoate
Also Known As: VU0488508-1, (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate, 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-butoxybenzoate, 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-butoxybenzoate, F0569-0512
| Molecular Formula | C25H30N2O3S |
|---|---|
| Molecular Weight | 438.20 g/mol |
| LogP | 6.49582 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.19772 |
| Heavy Atoms | 31 |
| Complexity | 1005.7415 |
Chemical Identifiers
| CAS Number | 876868-98-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3 |
Product Overview
(2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate (CAS 876868-98-3), with molecular formula C25H30N2O3S and molecular weight 438.20 g/mol. IUPAC: (1-tert-butyl-3-methyl-4-phenylsulfanylpyrazol-5-yl) 4-butoxybenzoate.
Chemical Property Profile of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate
Property Insights of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate
The XLogP value of 6.49582 indicates that (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate?
The CAS number of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate is 876868-98-3.
What is the molecular formula of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate?
The molecular formula of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate is C25H30N2O3S.
What is the molecular weight of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate?
The molecular weight of (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate is 438.20 g/mol.
Where can I buy (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate?
You can request a quote for (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.