Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride
TL;DR: Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride (CAS 100088-38-8) is a chemical compound with molecular formula C22H26ClNO4 and molecular weight 403.15503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methoxyphenyl)-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride
Also Known As: 3638 CT, 1,4-Benzodioxan, 7-(p-methoxybenzoyl)-2-(piperidinomethyl)-, hydrochloride, Piperidinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate, Piperidinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate [French], p-Methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl ketone hydrochloride
Technical Specifications
| Molecular Formula | C22H26ClNO4 |
| Molecular Weight | 403.15503 g/mol |
| XLogP | -0.86 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.15503 Da |
| Heavy Atoms | 28 |
| Complexity | 485.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)C[NH+]4CCCCC4.[Cl-] |
| InChIKey | KNNCNPUGDHWFJU-UHFFFAOYSA-N |
Chemical Property Profile of Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride
Property Insights of Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride
The XLogP value of -0.86 indicates that Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, 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, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, 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, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
The CAS number of Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride is 100088-38-8.
What is the molecular formula of Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
The molecular formula of Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride is C22H26ClNO4.
What is the molecular weight of Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
The molecular weight of Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride is 403.15503 g/mol.
Where can I buy Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
You can request a quote for Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.