RefChem:1064394
TL;DR: RefChem:1064394 (CAS 108051-44-1) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(4-(dimethylamino)phenyl)-, 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(4-(dimethylamino)phenyl)-2-propen-1-one, Acrylophenone, 5'-chloro-2'-hydroxy-3'-hydroxymethyl-3-(p-(dimethylamino)phenyl)-, (E)-1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]-3-(4-dimethylaminophenyl)prop-2-en-1-one, BRN 5585563
Technical Specifications
| Molecular Formula | C18H18ClNO3 |
| Molecular Weight | 331.09753 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.09753 Da |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2O)CO)Cl |
| InChIKey | APVXPXPTHQHLDN-VMPITWQZSA-N |
Chemical Property Profile of RefChem:1064394
Property Insights of RefChem:1064394
The XLogP value of 3.8 indicates that RefChem:1064394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064394. Following Lipinski's Rule of Five, RefChem:1064394 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 RefChem:1064394?
The CAS number of RefChem:1064394 is 108051-44-1.
What is the molecular formula of RefChem:1064394?
The molecular formula of RefChem:1064394 is C18H18ClNO3.
What is the molecular weight of RefChem:1064394?
The molecular weight of RefChem:1064394 is 331.09753 g/mol.
Where can I buy RefChem:1064394?
You can request a quote for RefChem:1064394 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064394?
Yes, CoreyChem provides custom synthesis services for RefChem:1064394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.