2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
TL;DR: 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride (CAS 101582-72-3) is a chemical compound with molecular formula C17H22ClNO3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylamino)-1-phenylethyl] furan-2-carboxylate;hydrochloride
Also Known As: 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride, [2-(diethylamino)-1-phenylethyl] furan-2-carboxylate hydrochloride, [2-(diethylamino)-1-phenylethyl] furan-2-carboxylate,hydrochloride, furan-2-carboxylic acid-(2-diethylamino-1-phenyl-ethyl ester),hydrochloride, 2-(Diethylamino)-1-phenylethyl furan-2-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C17H22ClNO3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 3.9413 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.1288 |
| Heavy Atoms | 22 |
| Complexity | 538.2964 |
Chemical Identifiers
| CAS Number | 101582-72-3 |
|---|---|
| SMILES | CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CO2.Cl |
Product Overview
2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride (CAS 101582-72-3), with molecular formula C17H22ClNO3 and molecular weight 323.13 g/mol. IUPAC: [2-(diethylamino)-1-phenylethyl] furan-2-carboxylate;hydrochloride.
Chemical Property Profile of 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
Property Insights of 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
The XLogP value of 3.9413 indicates that 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride has 0 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 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
The CAS number of 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is 101582-72-3.
What is the molecular formula of 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
The molecular formula of 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is C17H22ClNO3.
What is the molecular weight of 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
The molecular weight of 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is 323.13 g/mol.
Where can I buy 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
You can request a quote for 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Furoic acid, alpha-((diethylamino)methyl)benzyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.