2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
TL;DR: 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- (CAS 75613-93-3) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-ynoic acid
Also Known As: 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-ynoic acid, 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-ynoic acid
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 75613-93-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C#CC(=O)O |
| InChIKey | NYGXUENHAFSZHM-UHFFFAOYSA-N |
Product Overview
2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- (CAS 75613-93-3), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-ynoic acid.
Chemical Property Profile of 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
Property Insights of 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-. Following Lipinski's Rule of Five, 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- 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 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-?
The CAS number of 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- is 75613-93-3.
What is the molecular formula of 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-?
The molecular formula of 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- is C14H12N2O3.
What is the molecular weight of 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-?
The molecular weight of 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- is 256.08 g/mol.
Where can I buy 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-?
You can request a quote for 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynoic acid, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.