Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride
TL;DR: Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride (CAS 94821-97-3) is a chemical compound with molecular formula C16H22Cl2N2O5 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-2-one;dihydrochloride
Also Known As: Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride, 6,7-Dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)coumarin dihydrochloride, 6,7-dihydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-2-one dihydrochloride, 6,7-Dihydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one--hydrogen chloride (1/2), RefChem:334442
| Molecular Formula | C16H22Cl2N2O5 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 1.1577 |
| Topological Polar Surface Area | 97.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.09058 |
| Heavy Atoms | 25 |
| Complexity | 760.00885 |
Chemical Identifiers
| CAS Number | 94821-97-3 |
|---|---|
| SMILES | C1CN(CCN1CCO)CC2=C3C(=CC(=C2O)O)C=CC(=O)O3.Cl.Cl |
Product Overview
Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride (CAS 94821-97-3), with molecular formula C16H22Cl2N2O5 and molecular weight 392.09 g/mol. IUPAC: 6,7-dihydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-2-one;dihydrochloride.
Chemical Property Profile of Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride
Property Insights of Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride
The XLogP value of 1.1577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride. The TPSA of 97.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride. Following Lipinski's Rule of Five, Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 7 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 Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride?
The CAS number of Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride is 94821-97-3.
What is the molecular formula of Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride?
The molecular formula of Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride is C16H22Cl2N2O5.
What is the molecular weight of Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride?
The molecular weight of Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride is 392.09 g/mol.
Where can I buy Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride?
You can request a quote for Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 6,7-dihydroxy-8-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.