Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride
TL;DR: Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride (CAS 100323-45-3) is a chemical compound with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride
Also Known As: 3639 CT, 1,4-Benzodioxan, 7-(p-methoxybenzoyl)-2-(morpholinomethyl)-, hydrochloride, Morpholinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate, Morpholinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate [French], p-Methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl ketone hydrochloride
| Molecular Formula | C21H24ClNO5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | -2.01 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.1343 |
| Heavy Atoms | 28 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 100323-45-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)C[NH+]4CCOCC4.[Cl-] |
| InChIKey | BTJXBTQDLNKKHH-UHFFFAOYSA-N |
Product Overview
Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride (CAS 100323-45-3), with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol. IUPAC: (4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride.
Chemical Property Profile of Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride
Property Insights of Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride
The XLogP value of -2.01 indicates that Ketone, p-methoxyphenyl 3-morpholinomethyl-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 58.4 Ų, Ketone, p-methoxyphenyl 3-morpholinomethyl-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-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride has 1 hydrogen bond donor(s) and 6 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, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
The CAS number of Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride is 100323-45-3.
What is the molecular formula of Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
The molecular formula of Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride is C21H24ClNO5.
What is the molecular weight of Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
The molecular weight of Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride is 405.13 g/mol.
Where can I buy Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
You can request a quote for Ketone, p-methoxyphenyl 3-morpholinomethyl-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, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.