Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride
TL;DR: Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride (CAS 17854-76-1) is a chemical compound with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-(piperidin-1-ylmethyl)xanthen-9-one;hydrochloride
Also Known As: Pimexone, Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride, 3-Methoxy-4-(piperidinomethyl)xanthen-9-one hydrochloride, 3-methoxy-4-(piperidin-1-ylmethyl)xanthen-9-one hydrochloride, 3-Methoxy-4-[(piperidin-1-yl)methyl]-9H-xanthen-9-one--hydrogen chloride (1/1)
| Molecular Formula | C20H22ClNO3 |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 4.3625 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1288 |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 17854-76-1 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CN4CCCCC4.Cl |
| InChIKey | GLMPJGABYSVIST-UHFFFAOYSA-N |
Product Overview
Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride (CAS 17854-76-1), with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol. IUPAC: 3-methoxy-4-(piperidin-1-ylmethyl)xanthen-9-one;hydrochloride.
Chemical Property Profile of Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride
Property Insights of Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride
The XLogP value of 4.3625 indicates that Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, 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 Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride?
The CAS number of Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride is 17854-76-1.
What is the molecular formula of Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride?
The molecular formula of Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride is C20H22ClNO3.
What is the molecular weight of Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride?
The molecular weight of Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride is 359.13 g/mol.
Where can I buy Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride?
You can request a quote for Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.