1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine (CAS 956202-50-9) is a chemical compound with molecular formula C23H18N4OS and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenylpyrazol-5-amine
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine, A3351/0142197, 1-benzothiazol-2-yl-4-phenyl-3-(phenoxymethyl)pyrazole-5-ylamine, 1-(benzo[d]thiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine, 2-(1,3-benzothiazol-2-yl)-5-(phenoxymethyl)-4-phenylpyrazol-3-amine
| Molecular Formula | C23H18N4OS |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 5.3102 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.12012 |
| Heavy Atoms | 29 |
| Complexity | 1229.2977 |
Chemical Identifiers
| CAS Number | 956202-50-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(N=C2COC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)N |
Product Overview
1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine (CAS 956202-50-9), with molecular formula C23H18N4OS and molecular weight 398.12 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenylpyrazol-5-amine.
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine
The XLogP value of 5.3102 indicates that 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine has 1 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-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine is 956202-50-9.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine is C23H18N4OS.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine is 398.12 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-4-phenyl-1H-pyrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.