2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure
TL;DR: 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure (CAS 115294-99-0) is a chemical compound with molecular formula C17H17N7O5 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methylpurine-2,6-dione
Also Known As: 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure, (E)-7-(2,3-dihydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, F0373-1166, 7-(2,3-dihydroxypropyl)-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H17N7O5 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 0.3788 |
| Topological Polar Surface Area | 173.88 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12912 |
| Heavy Atoms | 29 |
| Complexity | 1360.5032 |
Chemical Identifiers
| CAS Number | 115294-99-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N=NC3=C(NC4=CC=CC=C43)O)CC(CO)O |
Product Overview
2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure (CAS 115294-99-0), with molecular formula C17H17N7O5 and molecular weight 399.13 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure
Property Insights of 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure
The XLogP value of 0.3788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure. The TPSA of 173.88 Ų indicates high polarity, suggesting 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure has 5 hydrogen bond donor(s) and 8 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 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure?
The CAS number of 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure is 115294-99-0.
What is the molecular formula of 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure?
The molecular formula of 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure is C17H17N7O5.
What is the molecular weight of 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure?
The molecular weight of 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure is 399.13 g/mol.
Where can I buy 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure?
You can request a quote for 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.