AE-641/00340009
TL;DR: AE-641/00340009 (CAS 125101-00-0) is a chemical compound with molecular formula C14H17N5O4 and molecular weight 319.12805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-2,6-bis(nitromethyl)-1-propylpyridine-3,5-dicarbonitrile
Also Known As: AE-641/00340009, 1,4-Dihydro-4,4-dimethyl-2,6-bis(nitromethyl)-1-propyl-3,5-pyridinedicarbonitrile, 4,4-dimethyl-2,6-bis(nitromethyl)-1-propylpyridine-3,5-dicarbonitrile, 2,6-bis{nitromethyl}-4,4-dimethyl-1-propyl-1,4-dihydropyridine-3,5-dicarbonitrile, 4,4-Dimethyl-2,6-bis(nitromethyl)-1-propyl-1,4-dihydropyridine-3,5-dicarbonitrile
Technical Specifications
| Molecular Formula | C14H17N5O4 |
| Molecular Weight | 319.12805 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.12805 Da |
| Heavy Atoms | 23 |
| Complexity | 634.0 |
| SMILES | CCCN1C(=C(C(C(=C1C[N+](=O)[O-])C#N)(C)C)C#N)C[N+](=O)[O-] |
| InChIKey | XZEPELFHUFFGLI-UHFFFAOYSA-N |
Chemical Property Profile of AE-641/00340009
Property Insights of AE-641/00340009
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/00340009. The TPSA of 142.0 Ų indicates high polarity, suggesting AE-641/00340009 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AE-641/00340009 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AE-641/00340009?
The CAS number of AE-641/00340009 is 125101-00-0.
What is the molecular formula of AE-641/00340009?
The molecular formula of AE-641/00340009 is C14H17N5O4.
What is the molecular weight of AE-641/00340009?
The molecular weight of AE-641/00340009 is 319.12805 g/mol.
Where can I buy AE-641/00340009?
You can request a quote for AE-641/00340009 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AE-641/00340009?
Yes, CoreyChem provides custom synthesis services for AE-641/00340009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.