Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride
TL;DR: Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride (CAS 100022-13-7) is a chemical compound with molecular formula C20H22ClNO4 and molecular weight 375.12375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-phenylmethanone chloride
Also Known As: 3633 CT, Morpholinomethyl-2 benzoyl-7 benzodioxan chlorhydrate, 1,4-Benzodioxan, 7-benzoyl-2-(morpholinomethyl)-, hydrochloride, Morpholinomethyl-2 benzoyl-7 benzodioxan chlorhydrate [French], 3-Morpholinomethyl-1,4-benzodioxan-6-yl phenyl ketone hydrochloride
Technical Specifications
| Molecular Formula | C20H22ClNO4 |
| Molecular Weight | 375.12375 g/mol |
| XLogP | -2.02 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.12375 Da |
| Heavy Atoms | 26 |
| Complexity | 445.0 |
| SMILES | C1COCC[NH+]1CC2COC3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-] |
| InChIKey | XMDJIURQLSRTIO-UHFFFAOYSA-N |
Chemical Property Profile of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride
Property Insights of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride
The XLogP value of -2.02 indicates that Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.2 Ų, Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride?
The CAS number of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride is 100022-13-7.
What is the molecular formula of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride?
The molecular formula of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride is C20H22ClNO4.
What is the molecular weight of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride?
The molecular weight of Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride is 375.12375 g/mol.
Where can I buy Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride?
You can request a quote for Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Ketone, 3-morpholinomethyl-1,4-benzodioxan-6-yl phenyl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.