RefChem:349572
TL;DR: RefChem:349572 (CAS 75883-44-2) is a chemical compound with molecular formula C21H31ClN2O5 and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-2-methylpropanamide chloride
Also Known As: Isobutyramide, N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride, hydrate, N-(4,7-Dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)isobutyramide hydrochloride hydrate, N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-2-methylpropanamide chloride, RefChem:349572
| Molecular Formula | C21H31ClN2O5 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.19214 |
| Heavy Atoms | 29 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 75883-44-2 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C2=C(C(=C1OCC[NH+]3CCCCC3)OC)OC=C2)OC.[Cl-] |
| InChIKey | QHUTYUCBCREXNX-UHFFFAOYSA-N |
Product Overview
RefChem:349572 (CAS 75883-44-2), with molecular formula C21H31ClN2O5 and molecular weight 426.19 g/mol. IUPAC: N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-2-methylpropanamide chloride.
Chemical Property Profile of RefChem:349572
Property Insights of RefChem:349572
The XLogP value of -0.5 indicates that RefChem:349572 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349572. Following Lipinski's Rule of Five, RefChem:349572 has 2 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 RefChem:349572?
The CAS number of RefChem:349572 is 75883-44-2.
What is the molecular formula of RefChem:349572?
The molecular formula of RefChem:349572 is C21H31ClN2O5.
What is the molecular weight of RefChem:349572?
The molecular weight of RefChem:349572 is 426.19 g/mol.
Where can I buy RefChem:349572?
You can request a quote for RefChem:349572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349572?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.