3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one
TL;DR: 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one (CAS 292841-29-3) is a chemical compound with molecular formula C10H8N4O2 and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(1,3-benzoxazol-2-yl)-4H-pyrazol-3-one
Also Known As: 3-amino-1-benzoxazol-2-yl-2-pyrazolin-5-one, 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one, 5-amino-2-(1,3-benzoxazol-2-yl)-4H-pyrazol-3-one, 3-amino-1-(benzo[d]oxazol-2-yl)-1h-pyrazol-5(4h)-one, 5-Amino-2-(1,3-benzoxazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one #
| Molecular Formula | C10H8N4O2 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.06473 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 292841-29-3 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=NC3=CC=CC=C3O2)N |
| InChIKey | VWGLYGZXKQIDFO-UHFFFAOYSA-N |
Product Overview
3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one (CAS 292841-29-3), with molecular formula C10H8N4O2 and molecular weight 216.06 g/mol. IUPAC: 5-amino-2-(1,3-benzoxazol-2-yl)-4H-pyrazol-3-one.
Chemical Property Profile of 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one
Property Insights of 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one. Following Lipinski's Rule of Five, 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one has 1 hydrogen bond donor(s) and 4 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 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one?
The CAS number of 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one is 292841-29-3.
What is the molecular formula of 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one?
The molecular formula of 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one is C10H8N4O2.
What is the molecular weight of 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one?
The molecular weight of 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one is 216.06 g/mol.
Where can I buy 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one?
You can request a quote for 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-(2-benzoxazolyl)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.