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1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine
TL;DR: 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine (CAS 512809-90-4) is a chemical compound with molecular formula C10H9ClFN3 and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine
Also Known As: 1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-amine, 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine, 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine, 1-[(2-Chloro-6-fluoro-phenyl)methyl]pyrazol-3-amine, 1-(2-Chloro-6-fluoro-benzyl)-1H-pyrazol-3-ylamine
| Molecular Formula | C10H9ClFN3 |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.0469 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 512809-90-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)N)F |
| InChIKey | ADERVFSKRRBTBO-UHFFFAOYSA-N |
Product Overview
1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine (CAS 512809-90-4), with molecular formula C10H9ClFN3 and molecular weight 225.05 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine.
Chemical Property Profile of 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine
Property Insights of 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine. With a topological polar surface area (TPSA) of 43.8 Ų, 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine has 1 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 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine?
The CAS number of 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine is 512809-90-4.
What is the molecular formula of 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine?
The molecular formula of 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine is C10H9ClFN3.
What is the molecular weight of 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine?
The molecular weight of 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine is 225.05 g/mol.
Where can I buy 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine?
You can request a quote for 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-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-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.