Carnitinylmaleate-isoluminol
TL;DR: Carnitinylmaleate-isoluminol (CAS 76966-72-8) is a chemical compound with molecular formula C16H16N4O7 and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(E)-4-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-4-oxobut-2-enoyl]oxybutanoic acid
Also Known As: CNMIL, Carnitinylmaleate-isoluminol, 4-amino-3-[(E)-4-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-4-oxobut-2-enoyl]oxybutanoic acid, 2-Butenoic acid, 4-oxo-4-((1,2,3,4-tetrahydro-1,4-dioxo-5-phthalazinyl)amino)-, 2-amino-1-(carboxymethyl)ethyl ester, RefChem:123778
| Molecular Formula | C16H16N4O7 |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | -0.9437 |
| Topological Polar Surface Area | 184.44 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.1019 |
| Heavy Atoms | 27 |
| Complexity | 1021.3361 |
Chemical Identifiers
| CAS Number | 76966-72-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)/C=C/C(=O)OC(CC(=O)O)CN)C(=O)NNC2=O |
Product Overview
Carnitinylmaleate-isoluminol (CAS 76966-72-8), with molecular formula C16H16N4O7 and molecular weight 376.10 g/mol. IUPAC: 4-amino-3-[(E)-4-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-4-oxobut-2-enoyl]oxybutanoic acid.
Chemical Property Profile of Carnitinylmaleate-isoluminol
Property Insights of Carnitinylmaleate-isoluminol
The XLogP value of -0.9437 indicates that Carnitinylmaleate-isoluminol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.44 Ų indicates high polarity, suggesting Carnitinylmaleate-isoluminol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carnitinylmaleate-isoluminol has 5 hydrogen bond donor(s) and 7 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 Carnitinylmaleate-isoluminol?
The CAS number of Carnitinylmaleate-isoluminol is 76966-72-8.
What is the molecular formula of Carnitinylmaleate-isoluminol?
The molecular formula of Carnitinylmaleate-isoluminol is C16H16N4O7.
What is the molecular weight of Carnitinylmaleate-isoluminol?
The molecular weight of Carnitinylmaleate-isoluminol is 376.10 g/mol.
Where can I buy Carnitinylmaleate-isoluminol?
You can request a quote for Carnitinylmaleate-isoluminol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carnitinylmaleate-isoluminol?
Yes, KEHONG BIO provides custom synthesis services for Carnitinylmaleate-isoluminol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.