3-Dimethylaminomethylkhellin hydrochloride
TL;DR: 3-Dimethylaminomethylkhellin hydrochloride (CAS 34086-73-2) is a chemical compound with molecular formula C17H20ClNO5 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(dimethylamino)methyl]-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;hydrochloride
Also Known As: 3-Dimethylaminomethylkhellin hydrochloride, 6-(Dimethylaminomethyl)-4,9-dimethoxy-7-methylpyrano(3,2-f)(1)benzoxol-5-one hydrochloride, 6-[(dimethylamino)methyl]-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;hydrochloride, 6-(dimethylaminomethyl)-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one hydrochloride, 5H-Furo(3,2-g)(1)benzopyran-5-one, 6-((dimethylamino)methyl)-4,9-dimethoxy-7-methyl-, hydrochloride
| Molecular Formula | C17H20ClNO5 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 3.34822 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.103 |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 34086-73-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC)CN(C)C.Cl |
| InChIKey | GLLKSEFEOCSNQZ-UHFFFAOYSA-N |
Product Overview
3-Dimethylaminomethylkhellin hydrochloride (CAS 34086-73-2), with molecular formula C17H20ClNO5 and molecular weight 353.10 g/mol. IUPAC: 6-[(dimethylamino)methyl]-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;hydrochloride.
Chemical Property Profile of 3-Dimethylaminomethylkhellin hydrochloride
Property Insights of 3-Dimethylaminomethylkhellin hydrochloride
The XLogP value of 3.34822 indicates that 3-Dimethylaminomethylkhellin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dimethylaminomethylkhellin hydrochloride. Following Lipinski's Rule of Five, 3-Dimethylaminomethylkhellin 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 3-Dimethylaminomethylkhellin hydrochloride?
The CAS number of 3-Dimethylaminomethylkhellin hydrochloride is 34086-73-2.
What is the molecular formula of 3-Dimethylaminomethylkhellin hydrochloride?
The molecular formula of 3-Dimethylaminomethylkhellin hydrochloride is C17H20ClNO5.
What is the molecular weight of 3-Dimethylaminomethylkhellin hydrochloride?
The molecular weight of 3-Dimethylaminomethylkhellin hydrochloride is 353.10 g/mol.
Where can I buy 3-Dimethylaminomethylkhellin hydrochloride?
You can request a quote for 3-Dimethylaminomethylkhellin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylaminomethylkhellin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylaminomethylkhellin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.