D04ENK
TL;DR: D04ENK (CAS 131311-25-6) is a chemical compound with molecular formula C30H34BrN5O7 and molecular weight 655.1642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(N-(2-bromo-1-propylpyridin-1-ium-4-carbonyl)anilino)propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate nitrate
Also Known As: Tcv 309, 2-[3-(N-(2-bromo-1-propylpyridin-1-ium-4-carbonyl)anilino)propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate nitrate, 3-Bromo-5-(N-phenyl-N-(2-((2-(1,2,3,4-tetrahydro-2-isoquinolylcarbonyloxy)ethyl)-carbamoyl)ethyl)carbamoyl)-1-propylpyridinium nitrate, 3-Bromo-5-(N-phenyl-N-(2-((2-(1,2,3,4-tetrahydro-2-isoquinolylcarbonyloxy)ethyl)carbamoyl)ethyl)carbamoyl)-1-propylpyridinium nitrate, Pyridinium, 3-bromo-5-(((3-((2-(((3,4-dihydro-2(1H)-isoquinolinyl)carbonyl)oxy)ethyl)amino)-3-oxopropyl)phenylamino)carbonyl)-1-propyl-, nitrate
Technical Specifications
| Molecular Formula | C30H34BrN5O7 |
| Molecular Weight | 655.1642 g/mol |
| XLogP | 4.26 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 655.1642 Da |
| Heavy Atoms | 43 |
| Complexity | 827.0 |
| SMILES | CCC[N+]1=C(C=C(C=C1)C(=O)N(CCC(=O)NCCOC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4)Br.[N+](=O)([O-])[O-] |
| InChIKey | XBPVPWDSUWHDIC-UHFFFAOYSA-O |
Chemical Property Profile of D04ENK
Property Insights of D04ENK
The XLogP value of 4.26 indicates that D04ENK is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting D04ENK may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D04ENK has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of D04ENK?
The CAS number of D04ENK is 131311-25-6.
What is the molecular formula of D04ENK?
The molecular formula of D04ENK is C30H34BrN5O7.
What is the molecular weight of D04ENK?
The molecular weight of D04ENK is 655.1642 g/mol.
Where can I buy D04ENK?
You can request a quote for D04ENK directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for D04ENK?
Yes, CoreyChem provides custom synthesis services for D04ENK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.