MJ 451
TL;DR: MJ 451 (CAS 129655-17-0) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Also Known As: MJ 451, MJ 355, J1.018.713C, 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-4-((2S)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl)-2,2-dimethyl-, (3S,4R)-, 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-4-(2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl)-2,2-dimethyl-, (3S-(3alpha,4beta(R*)))-
Technical Specifications
| Molecular Formula | C17H20N2O4 |
| Molecular Weight | 316.1423 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1423 Da |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
| SMILES | CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3[C@@H](CCC3=O)CO)O)C |
| InChIKey | PBEGNZBJXJTFMB-XZJROXQQSA-N |
Chemical Property Profile of MJ 451
Property Insights of MJ 451
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MJ 451. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for MJ 451. Following Lipinski's Rule of Five, MJ 451 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of MJ 451?
The CAS number of MJ 451 is 129655-17-0.
What is the molecular formula of MJ 451?
The molecular formula of MJ 451 is C17H20N2O4.
What is the molecular weight of MJ 451?
The molecular weight of MJ 451 is 316.1423 g/mol.
Where can I buy MJ 451?
You can request a quote for MJ 451 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for MJ 451?
Yes, CoreyChem provides custom synthesis services for MJ 451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.