XR 1853
TL;DR: XR 1853 (CAS 158944-02-6) is a chemical compound with molecular formula C22H23N3O3 and molecular weight 377.17395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione
Also Known As: XR 1853, (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione, 3-((4-(2-(Dimethylamino)ethoxy)phenyl)methylene)-6-(phenylmethylene)-2,5-piperazinedione, (3E,6E)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione, (3E,6Z)-3-benzylidene-6-[[4-(2-dimethylaminoethyloxy)phenyl]methylidene]piperazine-2,5-dione
Technical Specifications
| Molecular Formula | C22H23N3O3 |
| Molecular Weight | 377.17395 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.17395 Da |
| Heavy Atoms | 28 |
| Complexity | 613.0 |
| SMILES | CN(C)CCOC1=CC=C(C=C1)/C=C\2/C(=O)N/C(=C/C3=CC=CC=C3)/C(=O)N2 |
| InChIKey | SKAOOZAHHYQXKN-WOBBTWAASA-N |
Chemical Property Profile of XR 1853
Property Insights of XR 1853
The XLogP value of 3.0 indicates that XR 1853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for XR 1853. Following Lipinski's Rule of Five, XR 1853 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of XR 1853?
The CAS number of XR 1853 is 158944-02-6.
What is the molecular formula of XR 1853?
The molecular formula of XR 1853 is C22H23N3O3.
What is the molecular weight of XR 1853?
The molecular weight of XR 1853 is 377.17395 g/mol.
Where can I buy XR 1853?
You can request a quote for XR 1853 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for XR 1853?
Yes, CoreyChem provides custom synthesis services for XR 1853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.