RefChem:1061038
TL;DR: RefChem:1061038 (CAS 40681-04-7) is a chemical compound with molecular formula C26H33NO6 and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Also Known As: 5-20-02-00137 (Beilstein Handbook Reference), 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(2-hydroxyphenyl)ethyl)-6- (2-(1-piperidinyl)ethoxy)-, 2-(3-{4,7-dimethoxy-6-[2-(piperidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-hydroxypropyl)phenol, 2-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol, 2-(3-(4,7-Dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-1-benzofuran-5-yl)-3-hydroxypropyl)phenol
| Molecular Formula | C26H33NO6 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.23077 |
| Heavy Atoms | 33 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 40681-04-7 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)C(CCC4=CC=CC=C4O)O |
| InChIKey | RZGNINJYNOHJHB-UHFFFAOYSA-N |
Product Overview
RefChem:1061038 (CAS 40681-04-7), with molecular formula C26H33NO6 and molecular weight 455.23 g/mol. IUPAC: 2-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol.
Chemical Property Profile of RefChem:1061038
Property Insights of RefChem:1061038
The XLogP value of 4.2 indicates that RefChem:1061038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061038. Following Lipinski's Rule of Five, RefChem:1061038 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:1061038?
The CAS number of RefChem:1061038 is 40681-04-7.
What is the molecular formula of RefChem:1061038?
The molecular formula of RefChem:1061038 is C26H33NO6.
What is the molecular weight of RefChem:1061038?
The molecular weight of RefChem:1061038 is 455.23 g/mol.
Where can I buy RefChem:1061038?
You can request a quote for RefChem:1061038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061038?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.