Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride
TL;DR: Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride (CAS 42840-05-1) is a chemical compound with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-4-methoxyxanthen-9-one;hydrochloride
Also Known As: 3-(Dimethylamino)methyl-4-methoxy-9-xanthone hydrochloride, Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride, 3-(Dimethylamino)methyl-4-methoxyxanthen-9-one hydrochloride, 3-(dimethylaminomethyl)-4-methoxyxanthen-9-one hydrochloride, 3-[(dimethylamino)methyl]-4-methoxyxanthen-9-one,hydrochloride
| Molecular Formula | C17H18ClNO3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.4382 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.09753 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 42840-05-1 |
|---|---|
| SMILES | CN(C)CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)OC.Cl |
| InChIKey | AJKOGEPCYCFVLT-UHFFFAOYSA-N |
Product Overview
Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride (CAS 42840-05-1), with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol. IUPAC: 3-[(dimethylamino)methyl]-4-methoxyxanthen-9-one;hydrochloride.
Chemical Property Profile of Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride
Property Insights of Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride
The XLogP value of 3.4382 indicates that Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, 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-(dimethylamino)methyl-4-methoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, 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-(dimethylamino)methyl-4-methoxy-, hydrochloride?
The CAS number of Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride is 42840-05-1.
What is the molecular formula of Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride?
The molecular formula of Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride is C17H18ClNO3.
What is the molecular weight of Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride?
The molecular weight of Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride is 319.10 g/mol.
Where can I buy Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride?
You can request a quote for Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, 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-(dimethylamino)methyl-4-methoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Xanthen-9-one, 3-(dimethylamino)methyl-4-methoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.