1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
TL;DR: 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS 898055-78-2) is a chemical compound with molecular formula C12H13Cl2N3 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
Also Known As: 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine, 2-But-2t-enylmercapto-benzothiazol, 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine, 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1h-pyrazol-4-amine, 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine
| Molecular Formula | C12H13Cl2N3 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 3.43724 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.04865 |
| Heavy Atoms | 17 |
| Complexity | 540.86865 |
Chemical Identifiers
| CAS Number | 898055-78-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)N |
Product Overview
1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS 898055-78-2), with molecular formula C12H13Cl2N3 and molecular weight 269.05 g/mol. IUPAC: 1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.
Chemical Property Profile of 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
Property Insights of 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
The XLogP value of 3.43724 indicates that 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.84 Ų, 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine has 1 hydrogen bond donor(s) and 2 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 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The CAS number of 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is 898055-78-2.
What is the molecular formula of 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The molecular formula of 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is C12H13Cl2N3.
What is the molecular weight of 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The molecular weight of 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is 269.05 g/mol.
Where can I buy 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
You can request a quote for 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.