RefChem:301163
TL;DR: RefChem:301163 (CAS 75883-47-5) is a chemical compound with molecular formula C19H27ClN2O6 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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)-, methyl ester, hydrochloride, METHYLN-[4,7-DIMETHOXY-6-(2-PIPERIDIN-1-IUM-1-YLETHOXY)-1-BENZOFURAN-5-YL]CARBAMATECHLORIDE, 5-BENZOFURANCARBAMIC ACID, 4,7-DIMETHOXY-6-(2-PIPERIDINOETHOXY)-, METHYL ESTER,, methyl N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]carbamate chloride, RefChem:301163
| Molecular Formula | C19H27ClN2O6 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.15576 |
| Heavy Atoms | 28 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 75883-47-5 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCCC3)NC(=O)OC.[Cl-] |
| InChIKey | KLHBKDOGJDTSMZ-UHFFFAOYSA-N |
Product Overview
RefChem:301163 (CAS 75883-47-5), with molecular formula C19H27ClN2O6 and molecular weight 414.16 g/mol. IUPAC: methyl N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]carbamate chloride.
Chemical Property Profile of RefChem:301163
Property Insights of RefChem:301163
The XLogP value of -0.92 indicates that RefChem:301163 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:301163. Following Lipinski's Rule of Five, RefChem:301163 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:301163?
The CAS number of RefChem:301163 is 75883-47-5.
What is the molecular formula of RefChem:301163?
The molecular formula of RefChem:301163 is C19H27ClN2O6.
What is the molecular weight of RefChem:301163?
The molecular weight of RefChem:301163 is 414.16 g/mol.
Where can I buy RefChem:301163?
You can request a quote for RefChem:301163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301163?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.