3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin
TL;DR: 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin (CAS 49652-64-4) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(diethylamino)ethyl]-7-hydroxy-4-methylchromen-2-one
Also Known As: TimTec1_003500, KKSGOOJPXBUJIA-UHFFFAOYSA-, 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin, BAS 03008188, 3-[2-(Diethylamino)ethyl]-7-hydroxy-4-methyl-2H-chromen-2-one
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.69132 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 656.55493 |
Chemical Identifiers
| CAS Number | 49652-64-4 |
|---|---|
| SMILES | CCN(CC)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C |
Product Overview
3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin (CAS 49652-64-4), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin
Property Insights of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin
The XLogP value of 2.69132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin. With a topological polar surface area (TPSA) of 53.68 Ų, 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin 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 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin?
The CAS number of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin is 49652-64-4.
What is the molecular formula of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin?
The molecular formula of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin is C16H21NO3.
What is the molecular weight of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin?
The molecular weight of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin is 275.15 g/mol.
Where can I buy 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin?
You can request a quote for 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.