RefChem:301161
TL;DR: RefChem:301161 (CAS 75883-48-6) is a chemical compound with molecular formula C20H29ClN2O6 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]carbamate chloride
Also Known As: 5-Benzofurancarbamic acid, 4,7-dimethoxy-6-(2-piperidinoethoxy)-, ethyl ester, hydrochloride,hydrate, ETHYLN-[4,7-DIMETHOXY-6-(2-PIPERIDIN-1-IUM-1-YLETHOXY)-1-BENZOFURAN-5-YL]CARBAMATECHLORIDE, 5-BENZOFURANCARBAMIC ACID, 4,7-DIMETHOXY-6-(2-PIPERIDINOETHOXY)-, ETHYL ESTER, H, ethyl N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]carbamate chloride, RefChem:301161
| Molecular Formula | C20H29ClN2O6 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.17142 |
| Heavy Atoms | 29 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 75883-48-6 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C2=C(C(=C1OCC[NH+]3CCCCC3)OC)OC=C2)OC.[Cl-] |
| InChIKey | JQNKYGIQNGESLR-UHFFFAOYSA-N |
Product Overview
RefChem:301161 (CAS 75883-48-6), with molecular formula C20H29ClN2O6 and molecular weight 428.17 g/mol. IUPAC: ethyl N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]carbamate chloride.
Chemical Property Profile of RefChem:301161
Property Insights of RefChem:301161
The XLogP value of -0.53 indicates that RefChem:301161 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:301161. Following Lipinski's Rule of Five, RefChem:301161 has 2 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 RefChem:301161?
The CAS number of RefChem:301161 is 75883-48-6.
What is the molecular formula of RefChem:301161?
The molecular formula of RefChem:301161 is C20H29ClN2O6.
What is the molecular weight of RefChem:301161?
The molecular weight of RefChem:301161 is 428.17 g/mol.
Where can I buy RefChem:301161?
You can request a quote for RefChem:301161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301161?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.