RefChem:301198
TL;DR: RefChem:301198 (CAS 40680-79-3) is a chemical compound with molecular formula C28H39NO6 and molecular weight 485.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[2-[di(propan-2-yl)amino]ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
Also Known As: Phenol,2-(aminomethyl)-5-methyl, 5-Benzofuranmethanol, 6-(2-(bis(1-methylethyl)amino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-, 1-[6-[2-[di(propan-2-yl)amino]ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol, 1-(6-{2-[bis(propan-2-yl)amino]ethoxy}-4,7-dimethoxy-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-ol, 1-(6-{2-[Di(propan-2-yl)amino]ethoxy}-4,7-dimethoxy-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-ol
| Molecular Formula | C28H39NO6 |
|---|---|
| Molecular Weight | 485.28 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 485.27774 |
| Heavy Atoms | 35 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 40680-79-3 |
|---|---|
| SMILES | CC(C)N(CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=C(C=C3)OC)O)OC)OC)C(C)C |
| InChIKey | XLYIFSCRAIIYBZ-UHFFFAOYSA-N |
Product Overview
RefChem:301198 (CAS 40680-79-3), with molecular formula C28H39NO6 and molecular weight 485.28 g/mol. IUPAC: 1-[6-[2-[di(propan-2-yl)amino]ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol.
Chemical Property Profile of RefChem:301198
Property Insights of RefChem:301198
The XLogP value of 5.3 indicates that RefChem:301198 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:301198. Following Lipinski's Rule of Five, RefChem:301198 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:301198?
The CAS number of RefChem:301198 is 40680-79-3.
What is the molecular formula of RefChem:301198?
The molecular formula of RefChem:301198 is C28H39NO6.
What is the molecular weight of RefChem:301198?
The molecular weight of RefChem:301198 is 485.28 g/mol.
Where can I buy RefChem:301198?
You can request a quote for RefChem:301198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301198?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.