1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate
TL;DR: 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate (CAS 876868-92-7) is a chemical compound with molecular formula C24H28N2O3S and molecular weight 424.18 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-propan-2-yloxybenzoate
Also Known As: 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate, F0569-0533, 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-(propan-2-yloxy)benzoate, (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-propan-2-yloxybenzoate
| Molecular Formula | C24H28N2O3S |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | 6.10412 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.18207 |
| Heavy Atoms | 30 |
| Complexity | 1003.4255 |
Chemical Identifiers
| CAS Number | 876868-92-7 |
|---|---|
| SMILES | CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC(C)C)C(C)(C)C |
Product Overview
1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate (CAS 876868-92-7), with molecular formula C24H28N2O3S and molecular weight 424.18 g/mol. IUPAC: (1-tert-butyl-3-methyl-4-phenylsulfanylpyrazol-5-yl) 4-propan-2-yloxybenzoate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate
Property Insights of 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate
The XLogP value of 6.10412 indicates that 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate 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 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate?
The CAS number of 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate is 876868-92-7.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate is C24H28N2O3S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate is 424.18 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-(phenylthio)-1H-pyrazol-5-yl 4-isopropoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.