RefChem:301192
TL;DR: RefChem:301192 (CAS 40681-00-3) is a chemical compound with molecular formula C25H31NO6 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Also Known As: Phenol,2-(aminomethyl)-5-methyl, 4-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol, 4-(3-{4,7-dimethoxy-6-[2-(pyrrolidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-hydroxypropyl)phenol, 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-hydroxyphenyl)ethyl)-6- (2-(1-pyrrolidinyl)ethoxy)-, 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-hydroxyphenyl)ethyl)-6-(2-(1-pyrrolidinyl)ethoxy)-
| Molecular Formula | C25H31NO6 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.21515 |
| Heavy Atoms | 32 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 40681-00-3 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(CCC4=CC=C(C=C4)O)O |
| InChIKey | JCINDSKUTAWEHY-UHFFFAOYSA-N |
Product Overview
RefChem:301192 (CAS 40681-00-3), with molecular formula C25H31NO6 and molecular weight 441.22 g/mol. IUPAC: 4-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol.
Chemical Property Profile of RefChem:301192
Property Insights of RefChem:301192
The XLogP value of 3.9 indicates that RefChem:301192 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:301192. Following Lipinski's Rule of Five, RefChem:301192 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:301192?
The CAS number of RefChem:301192 is 40681-00-3.
What is the molecular formula of RefChem:301192?
The molecular formula of RefChem:301192 is C25H31NO6.
What is the molecular weight of RefChem:301192?
The molecular weight of RefChem:301192 is 441.22 g/mol.
Where can I buy RefChem:301192?
You can request a quote for RefChem:301192 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301192?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301192 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.