1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮
TL;DR: 1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮 (CAS 21621-75-0) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮
1-(1-isoquinolin-3-yl-5-methylpyrazol-4-yl)ethanone
Also Known As: Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone, 5-24-02-00150 (Beilstein Handbook Reference), 1-(1-isoquinolin-3-yl-5-methylpyrazol-4-yl)ethanone, KETONE, METHYL 5-METHYL-1-(2-QUINOLYL)-4-PYRAZOLYL, 1-[1-(Isoquinolin-3-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
| Molecular Formula | C15H13N3O |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10587 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 21621-75-0 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC3=CC=CC=C3C=N2)C(=O)C |
| InChIKey | QFURKINDUVMSJB-UHFFFAOYSA-N |
Product Overview
1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮 (CAS 21621-75-0), with molecular formula C15H13N3O and molecular weight 251.11 g/mol. IUPAC: 1-(1-isoquinolin-3-yl-5-methylpyrazol-4-yl)ethanone.
Chemical Property Profile of 1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮
Property Insights of 1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮. With a topological polar surface area (TPSA) of 47.8 Ų, 1-(5-甲基-1-(喹啉-2-基)-1H-吡唑-4-基)乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮 has 0 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 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮?
The CAS number of 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮 is 21621-75-0.
What is the molecular formula of 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮?
The molecular formula of 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮 is C15H13N3O.
What is the molecular weight of 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮?
The molecular weight of 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮 is 251.11 g/mol.
Where can I buy 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮?
You can request a quote for 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮?
Yes, KEHONG BIO provides custom synthesis services for 甲基5-甲基-1-(2-喹啉基)-4-吡唑基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.