2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride
TL;DR: 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride (CAS 74229-00-8) is a chemical compound with molecular formula C19H21ClN2O3 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[(5-nitro-3-phenyl-1-benzofuran-2-yl)methyl]azanium chloride
Also Known As: N,N-Diethyl-5-nitro-3-phenyl-2-benzofuranmethylamine hydrochloride, 2-BENZOFURANMETHYLAMINE, N,N-DIETHYL-5-NITRO-3-PHENYL-, HYDROCHLORIDE, diethyl-[(5-nitro-3-phenyl-1-benzofuran-2-yl)methyl]azanium chloride, RefChem:256375
| Molecular Formula | C19H21ClN2O3 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 0.44 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.12408 |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 74229-00-8 |
|---|---|
| SMILES | CC[NH+](CC)CC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-] |
| InChIKey | WLOIBYSFBZTLFJ-UHFFFAOYSA-N |
Product Overview
2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride (CAS 74229-00-8), with molecular formula C19H21ClN2O3 and molecular weight 360.12 g/mol. IUPAC: diethyl-[(5-nitro-3-phenyl-1-benzofuran-2-yl)methyl]azanium chloride.
Chemical Property Profile of 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride
Property Insights of 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride
The XLogP value of 0.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride. Following Lipinski's Rule of Five, 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride 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 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride?
The CAS number of 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride is 74229-00-8.
What is the molecular formula of 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride?
The molecular formula of 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride is C19H21ClN2O3.
What is the molecular weight of 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride?
The molecular weight of 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride is 360.12 g/mol.
Where can I buy 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride?
You can request a quote for 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.