hydrogen oxalate monohydrate salt
TL;DR: hydrogen oxalate monohydrate salt (CAS 85634-51-1) is a chemical compound with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(cyclohexanecarbonyl)benzotriazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Also Known As: hydrogen oxalate monohydrate salt, 1-(Cyclohexylcarbonyl)-5-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-1H-benzotriazole, 5-Methyl-6-(1'-cyclohexanoyl-benzotriazol-5'-yl)-4,5-dihydro-3(2H)pyridazinone, 1H-Benzotriazole, 1-(cyclohexylcarbonyl)-5-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-, 3-[1-(cyclohexanecarbonyl)benzotriazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
| Molecular Formula | C18H21N5O2 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 2.5119 |
| Topological Polar Surface Area | 89.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.16953 |
| Heavy Atoms | 25 |
| Complexity | 863.47363 |
Chemical Identifiers
| CAS Number | 85634-51-1 |
|---|---|
| SMILES | CC1CC(=O)NN=C1C2=CC3=C(C=C2)N(N=N3)C(=O)C4CCCCC4 |
Product Overview
hydrogen oxalate monohydrate salt (CAS 85634-51-1), with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol. IUPAC: 3-[1-(cyclohexanecarbonyl)benzotriazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
Chemical Property Profile of hydrogen oxalate monohydrate salt
Property Insights of hydrogen oxalate monohydrate salt
The XLogP value of 2.5119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hydrogen oxalate monohydrate salt. The TPSA of 89.24 Ų falls within the moderate polarity range, balancing permeability and solubility for hydrogen oxalate monohydrate salt. Following Lipinski's Rule of Five, hydrogen oxalate monohydrate salt has 1 hydrogen bond donor(s) and 5 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 hydrogen oxalate monohydrate salt?
The CAS number of hydrogen oxalate monohydrate salt is 85634-51-1.
What is the molecular formula of hydrogen oxalate monohydrate salt?
The molecular formula of hydrogen oxalate monohydrate salt is C18H21N5O2.
What is the molecular weight of hydrogen oxalate monohydrate salt?
The molecular weight of hydrogen oxalate monohydrate salt is 339.17 g/mol.
Where can I buy hydrogen oxalate monohydrate salt?
You can request a quote for hydrogen oxalate monohydrate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hydrogen oxalate monohydrate salt?
Yes, KEHONG BIO provides custom synthesis services for hydrogen oxalate monohydrate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.