Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride
TL;DR: Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride (CAS 3818-98-2) is a chemical compound with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride
Also Known As: CT 3570, Phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl ketone hydrochloride, Chlorhydrate de piperidinomethyl-2 benzoyl-7 benzodioxanne-1,4, Chlorhydrate de piperidinomethyl-2 benzoyl-7 benzodioxanne-1,4 [French], KETONE, PHENYL 3-(PIPERIDINOMETHYL)-1,4-BENZODIOXAN-6-YL, HYDROCHLORIDE
| Molecular Formula | C21H24ClNO3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.14447 |
| Heavy Atoms | 26 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 3818-98-2 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC2COC3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-] |
| InChIKey | QWVJQOXEEWGUTN-UHFFFAOYSA-N |
Product Overview
Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride (CAS 3818-98-2), with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol. IUPAC: phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride.
Chemical Property Profile of Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride
Property Insights of Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride
The XLogP value of -0.87 indicates that Ketone, phenyl 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 40.0 Ų, Ketone, phenyl 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, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride?
The CAS number of Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride is 3818-98-2.
What is the molecular formula of Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride?
The molecular formula of Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride is C21H24ClNO3.
What is the molecular weight of Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride?
The molecular weight of Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride is 373.14 g/mol.
Where can I buy Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride?
You can request a quote for Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.