Emd 56431
TL;DR: Emd 56431 (CAS 129729-66-4) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydrochromene-6-carbonitrile
Also Known As: Emd 56431, EMD 56 431, 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1(2H)-pyridinyl)-, trans-(+-)-, (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile, (3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxopyridin-1(2H)-yl)chroman-6-carbonitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H16N2O3 |
| Molecular Weight | 296.1161 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.1161 Da |
| Heavy Atoms | 22 |
| Complexity | 572.0 |
| SMILES | CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N3C=CC=CC3=O)O)C |
| InChIKey | MMSFHQSHXRMPLJ-JKSUJKDBSA-N |
Chemical Property Profile of Emd 56431
Property Insights of Emd 56431
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emd 56431. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Emd 56431. Following Lipinski's Rule of Five, Emd 56431 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Emd 56431?
The CAS number of Emd 56431 is 129729-66-4.
What is the molecular formula of Emd 56431?
The molecular formula of Emd 56431 is C17H16N2O3.
What is the molecular weight of Emd 56431?
The molecular weight of Emd 56431 is 296.1161 g/mol.
Where can I buy Emd 56431?
You can request a quote for Emd 56431 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emd 56431?
Yes, CoreyChem provides custom synthesis services for Emd 56431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.