Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride
TL;DR: Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride (CAS 53708-73-9) is a chemical compound with molecular formula C18H24Cl2N2O5 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate;dihydrochloride
Also Known As: Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride, 7-Hydroxy-8-(4-methylpiperazin-1-ylmethyl)chromone-2-carboxylic acid ethyl ester 2HCl, Ethyl 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-2-carboxylate--hydrogen chloride (1/2), ethyl 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate dihydrochloride, RefChem:334110
| Molecular Formula | C18H24Cl2N2O5 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 2.2663 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.10623 |
| Heavy Atoms | 27 |
| Complexity | 847.4963 |
Chemical Identifiers
| CAS Number | 53708-73-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C.Cl.Cl |
Product Overview
Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride (CAS 53708-73-9), with molecular formula C18H24Cl2N2O5 and molecular weight 418.11 g/mol. IUPAC: ethyl 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate;dihydrochloride.
Chemical Property Profile of Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride
Property Insights of Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride
The XLogP value of 2.2663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride. Following Lipinski's Rule of Five, Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride has 1 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 Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride?
The CAS number of Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride is 53708-73-9.
What is the molecular formula of Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride?
The molecular formula of Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride is C18H24Cl2N2O5.
What is the molecular weight of Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride?
The molecular weight of Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride is 418.11 g/mol.
Where can I buy Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride?
You can request a quote for Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Chromone-2-carboxylic acid, 7-hydroxy-8-(4-methylpiperazin-1-ylmethyl)-, ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.