TimTec1_006106
TL;DR: TimTec1_006106 (CAS 24246-07-9) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate
Also Known As: TimTec1_006106, methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate, Methyl 2-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl 2-(5-oxo-1-phenyl-2-pyrazolin-3-yl)acetate
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 24246-07-9 |
|---|---|
| SMILES | COC(=O)CC1=NN(C(=O)C1)C2=CC=CC=C2 |
| InChIKey | RJIDGRHOHFDKKB-UHFFFAOYSA-N |
Product Overview
TimTec1_006106 (CAS 24246-07-9), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate.
Chemical Property Profile of TimTec1_006106
Property Insights of TimTec1_006106
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_006106. With a topological polar surface area (TPSA) of 59.0 Ų, TimTec1_006106 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_006106 has 0 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 TimTec1_006106?
The CAS number of TimTec1_006106 is 24246-07-9.
What is the molecular formula of TimTec1_006106?
The molecular formula of TimTec1_006106 is C12H12N2O3.
What is the molecular weight of TimTec1_006106?
The molecular weight of TimTec1_006106 is 232.08 g/mol.
Where can I buy TimTec1_006106?
You can request a quote for TimTec1_006106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006106?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.