![5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/2401/240115-97-3.webp)
5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 240115-97-3) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-(thiophen-2-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one
Also Known As: JoCdPCG^`DISOkLvT]tsSSMPHP, JoCdPCG^`DISOkLvT]tsSSMPH\P, 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 3-methyl-4-({[(thiophen-2-yl)methyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 3-methyl-4-[(2-thienylmethylamino)methylene]-1H-pyrazol-5-one
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.69202 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 507.00995 |
Chemical Identifiers
| CAS Number | 240115-97-3 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C=NCC2=CC=CS2 |
Product Overview
5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 240115-97-3), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 5-methyl-4-(thiophen-2-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.69202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 61.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one has 2 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 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 240115-97-3.
What is the molecular formula of 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is C10H11N3OS.
What is the molecular weight of 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 221.06 g/mol.
Where can I buy 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-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-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.