RefChem:1069549
TL;DR: RefChem:1069549 (CAS 40680-70-4) is a chemical compound with molecular formula C27H35NO6 and molecular weight 469.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
Also Known As: Phenol,2-(aminomethyl)-5-methyl, 5-20-02-00137 (Beilstein Handbook Reference), 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6- (2-(1-piperidinyl)ethoxy)-, 1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol, 1-{4,7-Dimethoxy-6-[2-(piperidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-(4-methoxyphenyl)propan-1-ol
| Molecular Formula | C27H35NO6 |
|---|---|
| Molecular Weight | 469.25 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.24643 |
| Heavy Atoms | 34 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 40680-70-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCCN4CCCCC4)OC)OC=C3)OC)O |
| InChIKey | DCUIJRIPEXZKFA-UHFFFAOYSA-N |
Product Overview
RefChem:1069549 (CAS 40680-70-4), with molecular formula C27H35NO6 and molecular weight 469.25 g/mol. IUPAC: 1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol.
Chemical Property Profile of RefChem:1069549
Property Insights of RefChem:1069549
The XLogP value of 4.6 indicates that RefChem:1069549 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:1069549. Following Lipinski's Rule of Five, RefChem:1069549 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:1069549?
The CAS number of RefChem:1069549 is 40680-70-4.
What is the molecular formula of RefChem:1069549?
The molecular formula of RefChem:1069549 is C27H35NO6.
What is the molecular weight of RefChem:1069549?
The molecular weight of RefChem:1069549 is 469.25 g/mol.
Where can I buy RefChem:1069549?
You can request a quote for RefChem:1069549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069549?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.