RefChem:301194
TL;DR: RefChem:301194 (CAS 40680-80-6) 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.
1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
Also Known As: Phenol,2-(aminomethyl)-5-methyl, 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol, 1-{4,7-dimethoxy-6-[2-(pyrrolidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-(4-methoxyphenyl)propan-1-ol, 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6- (2-(1-pyrrolidinyl)ethoxy)-, 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6-(2-(1-pyrrolidinyl)ethoxy)-
| Molecular Formula | C26H33NO6 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 455.23077 |
| Heavy Atoms | 33 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 40680-80-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCCN4CCCC4)OC)OC=C3)OC)O |
| InChIKey | FIGVREWYFJWCGB-UHFFFAOYSA-N |
Product Overview
RefChem:301194 (CAS 40680-80-6), with molecular formula C26H33NO6 and molecular weight 455.23 g/mol. IUPAC: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol.
Chemical Property Profile of RefChem:301194
Property Insights of RefChem:301194
The XLogP value of 4.2 indicates that RefChem:301194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:301194. Following Lipinski's Rule of Five, RefChem:301194 has 1 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:301194?
The CAS number of RefChem:301194 is 40680-80-6.
What is the molecular formula of RefChem:301194?
The molecular formula of RefChem:301194 is C26H33NO6.
What is the molecular weight of RefChem:301194?
The molecular weight of RefChem:301194 is 455.23 g/mol.
Where can I buy RefChem:301194?
You can request a quote for RefChem:301194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301194?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.