E 4018
TL;DR: E 4018 (CAS 251375-82-3) is a chemical compound with molecular formula C21H29N3O8 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
E 4018
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Cizolirtine citrate, null, E-3710 citrate, Cizolirtine citrate [MI], 251375-82-3 (citrate)
| Molecular Formula | C21H29N3O8 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 0.8392 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 451.19547 |
| Heavy Atoms | 32 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 251375-82-3 |
|---|---|
| SMILES | CN1C(=CC=N1)C(C2=CC=CC=C2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | JLKUMSHHQYQLSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
E 4018 (CAS 251375-82-3), with molecular formula C21H29N3O8 and molecular weight 451.20 g/mol. IUPAC: N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of E 4018
Property Insights of E 4018
The XLogP value of 0.8392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E 4018. The TPSA of 162.0 Ų indicates high polarity, suggesting E 4018 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E 4018 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E 4018?
The CAS number of E 4018 is 251375-82-3.
What is the molecular formula of E 4018?
The molecular formula of E 4018 is C21H29N3O8.
What is the molecular weight of E 4018?
The molecular weight of E 4018 is 451.20 g/mol.
Where can I buy E 4018?
You can request a quote for E 4018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 4018?
Yes, KEHONG BIO provides custom synthesis services for E 4018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.