3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride
TL;DR: 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride (CAS 79418-49-8) is a chemical compound with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-N-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide;hydrochloride
Also Known As: 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride, 2-(Diethylamino)-N-(3-methyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-6-yl)acetamide monohydrochloride, Acetamide, 2-(diethylamino)-N-(3-methyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-6-yl)-, monohydrochloride, 2-(diethylamino)-N-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide hydrochloride, 2-(diethylamino)-N-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide,hydrochloride
| Molecular Formula | C18H21ClN2O4 |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 3.54972 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.119 |
| Heavy Atoms | 25 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 79418-49-8 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=CC2=CC3=C(C=C2OC1=O)OC=C3C.Cl |
| InChIKey | HYMJXGVBMTYAFQ-UHFFFAOYSA-N |
Product Overview
3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride (CAS 79418-49-8), with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol. IUPAC: 2-(diethylamino)-N-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide;hydrochloride.
Chemical Property Profile of 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride
Property Insights of 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride
The XLogP value of 3.54972 indicates that 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride. Following Lipinski's Rule of Five, 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride has 2 hydrogen bond donor(s) and 5 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-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride?
The CAS number of 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride is 79418-49-8.
What is the molecular formula of 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride?
The molecular formula of 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride is C18H21ClN2O4.
What is the molecular weight of 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride?
The molecular weight of 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride is 364.12 g/mol.
Where can I buy 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride?
You can request a quote for 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Diethylaminoacetylamido-4'-methylpsoralen hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.