5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 338402-58-7) is a chemical compound with molecular formula C8H12N4O and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4H-pyrazol-3-one
Also Known As: 3-methyl-1-(1,4,5,6-tetrahydropyrimidin-2-yl)-4,5-dihydro-1H-pyrazol-5-one, 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4H-pyrazol-3-one, 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one, 3B-075, 5-Methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C8H12N4O |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | -0.0561 |
| Topological Polar Surface Area | 57.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.1011 |
| Heavy Atoms | 13 |
| Complexity | 294.51917 |
Chemical Identifiers
| CAS Number | 338402-58-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=NCCCN2 |
Product Overview
5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 338402-58-7), with molecular formula C8H12N4O and molecular weight 180.10 g/mol. IUPAC: 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4H-pyrazol-3-one.
Chemical Property Profile of 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of -0.0561 indicates that 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.06 Ų, 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-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 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one is 338402-58-7.
What is the molecular formula of 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one is C8H12N4O.
What is the molecular weight of 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one is 180.10 g/mol.
Where can I buy 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.