RefChem:1062266
TL;DR: RefChem:1062266 (CAS 128506-04-7) is a chemical compound with molecular formula C27H32N3O7P and molecular weight 541.1978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-anilinoethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: 2-anilinoethyl 5-(5,5-dimethyl-2-oxo-1,3,2, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-(phenylamino)ethyl ester, P-oxide, 2-Anilinoethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2-[2,6-dimethyl-4-(3-nitrophenyl)-5-{[2-(phenylamino)ethoxy]carbonyl}-1,4-dihydropyridin-3-yl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olate, 5,5-Dimethyl-2-[[1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-[[2-(phenylamino)ethoxy]carbonyl]pyridin]-3-yl]-1,3,2-dioxaphosphorinane 2-oxide
Technical Specifications
| Molecular Formula | C27H32N3O7P |
| Molecular Weight | 541.1978 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.1978 Da |
| Heavy Atoms | 38 |
| Complexity | 999.0 |
| SMILES | CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCNC4=CC=CC=C4 |
| InChIKey | BFXGSGGPZVARNU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1062266
Property Insights of RefChem:1062266
The XLogP value of 3.8 indicates that RefChem:1062266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062266. Following Lipinski's Rule of Five, RefChem:1062266 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1062266?
The CAS number of RefChem:1062266 is 128506-04-7.
What is the molecular formula of RefChem:1062266?
The molecular formula of RefChem:1062266 is C27H32N3O7P.
What is the molecular weight of RefChem:1062266?
The molecular weight of RefChem:1062266 is 541.1978 g/mol.
Where can I buy RefChem:1062266?
You can request a quote for RefChem:1062266 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1062266?
Yes, CoreyChem provides custom synthesis services for RefChem:1062266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.