E-4031 dihydrochloride
TL;DR: E-4031 dihydrochloride (CAS 113559-13-0) is a chemical compound with molecular formula C21H33Cl2N3O5S and molecular weight 509.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrate;dihydrochloride
Also Known As: E-4031 dihydrochloride, E-4031, 3599AH, E 4031, 4′-[[1-[2-(6-Methyl-2-pyridinyl)ethyl-4-piperidinyl]carbonyl]methanesulfonanilide, 2HCl
Technical Specifications
| Molecular Formula | C21H33Cl2N3O5S |
| Molecular Weight | 509.1518 g/mol |
| XLogP | 2.09312 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.1518 Da |
| Heavy Atoms | 32 |
| Complexity | 603.0 |
| SMILES | CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C.O.O.Cl.Cl |
| InChIKey | AJNFQUKPBCGJKX-UHFFFAOYSA-N |
Chemical Property Profile of E-4031 dihydrochloride
Property Insights of E-4031 dihydrochloride
The XLogP value of 2.09312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E-4031 dihydrochloride. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for E-4031 dihydrochloride. Following Lipinski's Rule of Five, E-4031 dihydrochloride has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of E-4031 dihydrochloride?
The CAS number of E-4031 dihydrochloride is 113559-13-0.
What is the molecular formula of E-4031 dihydrochloride?
The molecular formula of E-4031 dihydrochloride is C21H33Cl2N3O5S.
What is the molecular weight of E-4031 dihydrochloride?
The molecular weight of E-4031 dihydrochloride is 509.1518 g/mol.
Where can I buy E-4031 dihydrochloride?
You can request a quote for E-4031 dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for E-4031 dihydrochloride?
Yes, CoreyChem provides custom synthesis services for E-4031 dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.