E 0747
TL;DR: E 0747 (CAS 6342-12-7) is a chemical compound with molecular formula C21H28ClN3O4 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
E 0747
6-chloro-3'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
Also Known As: E 0747, E-0747, L-29065, Spiro(4H-1-benzopyran-4,4'-imidazolidine)-2',5'-dione, 2,3-dihydro-6-chloro-2,2-dimethyl-1'-(3-(4-hydroxy-1-piperidinyl)propyl)-, 6-chloro-3'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
| Molecular Formula | C21H28ClN3O4 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.17682 |
| Heavy Atoms | 29 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 6342-12-7 |
|---|---|
| SMILES | CC1(CC2(C3=C(O1)C=CC(=C3)Cl)C(=O)N(C(=O)N2)CCCN4CCC(CC4)O)C |
| InChIKey | VDDQRGRMFUGJDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
E 0747 (CAS 6342-12-7), with molecular formula C21H28ClN3O4 and molecular weight 421.18 g/mol. IUPAC: 6-chloro-3'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.
Chemical Property Profile of E 0747
Property Insights of E 0747
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E 0747. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for E 0747. Following Lipinski's Rule of Five, E 0747 has 2 hydrogen bond donor(s) and 5 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 0747?
The CAS number of E 0747 is 6342-12-7.
What is the molecular formula of E 0747?
The molecular formula of E 0747 is C21H28ClN3O4.
What is the molecular weight of E 0747?
The molecular weight of E 0747 is 421.18 g/mol.
Where can I buy E 0747?
You can request a quote for E 0747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 0747?
Yes, KEHONG BIO provides custom synthesis services for E 0747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.