4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole
TL;DR: 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole (CAS 1004193-68-3) is a chemical compound with molecular formula C14H15N3S and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isothiocyanato-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
Also Known As: 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole, 4-isothiocyanato-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole, 4-isothiocyanato-3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazole, 4-isothiocyanato-3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazole, 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-isothiocyanate
| Molecular Formula | C14H15N3S |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 3.59096 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.09866 |
| Heavy Atoms | 18 |
| Complexity | 621.9645 |
Chemical Identifiers
| CAS Number | 1004193-68-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C(=C(C(=N2)C)N=C=S)C |
Product Overview
4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole (CAS 1004193-68-3), with molecular formula C14H15N3S and molecular weight 257.10 g/mol. IUPAC: 4-isothiocyanato-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole.
Chemical Property Profile of 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole
Property Insights of 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole
The XLogP value of 3.59096 indicates that 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.18 Ų, 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole has 0 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-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole?
The CAS number of 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole is 1004193-68-3.
What is the molecular formula of 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole?
The molecular formula of 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole is C14H15N3S.
What is the molecular weight of 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole?
The molecular weight of 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole is 257.10 g/mol.
Where can I buy 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole?
You can request a quote for 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.