3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride
TL;DR: 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride (CAS 85388-74-5) is a chemical compound with molecular formula C22H28Cl2N2O4 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate;dihydrochloride
Also Known As: 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride, 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N-methylanilino)methyl)-, ethyl ester, dihydrochloride, 3-Benzofurancarboxylicacid,4-( -5-hydroxy-2-( -,ethylester,dihydrochloride, 3-Benzofurancarboxylic acid,4-((dimethylamino)methyl)-5-hydroxy-2-((N-methylanilino)methyl)-,ethyl ester,dihydrochloride, ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate dihydrochloride
| Molecular Formula | C22H28Cl2N2O4 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 4.8567 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.1426 |
| Heavy Atoms | 30 |
| Complexity | 974.17804 |
Chemical Identifiers
| CAS Number | 85388-74-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CN(C)C3=CC=CC=C3.Cl.Cl |
Product Overview
3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride (CAS 85388-74-5), with molecular formula C22H28Cl2N2O4 and molecular weight 454.14 g/mol. IUPAC: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate;dihydrochloride.
Chemical Property Profile of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride
Property Insights of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride
The XLogP value of 4.8567 indicates that 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride. Following Lipinski's Rule of Five, 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride 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-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride?
The CAS number of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride is 85388-74-5.
What is the molecular formula of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride?
The molecular formula of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride is C22H28Cl2N2O4.
What is the molecular weight of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride?
The molecular weight of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride is 454.14 g/mol.
Where can I buy 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride?
You can request a quote for 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, 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 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((N- methylanilino)methyl)-, ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.