Optalidon
TL;DR: Optalidon (CAS 60382-50-5) is a chemical compound with molecular formula C32H43N9O6 and molecular weight 649.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione
Also Known As: Optalidon, Butalbarbital mixture with caffeine and aminopyrine, 5-(2-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione & 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione, 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one; 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione; 1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C32H43N9O6 |
|---|---|
| Molecular Weight | 649.33 g/mol |
| LogP | 1.48212 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 649.3336 |
| Heavy Atoms | 47 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 60382-50-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | YTEZOIYKTFWJPC-UHFFFAOYSA-N |
Product Overview
Optalidon (CAS 60382-50-5), with molecular formula C32H43N9O6 and molecular weight 649.33 g/mol. IUPAC: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Optalidon
Property Insights of Optalidon
The XLogP value of 1.48212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Optalidon. The TPSA of 161.0 Ų indicates high polarity, suggesting Optalidon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Optalidon has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Optalidon?
The CAS number of Optalidon is 60382-50-5.
What is the molecular formula of Optalidon?
The molecular formula of Optalidon is C32H43N9O6.
What is the molecular weight of Optalidon?
The molecular weight of Optalidon is 649.33 g/mol.
Where can I buy Optalidon?
You can request a quote for Optalidon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Optalidon?
Yes, KEHONG BIO provides custom synthesis services for Optalidon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.