RefChem:301176
TL;DR: RefChem:301176 (CAS 40680-96-4) is a chemical compound with molecular formula C23H29NO6 and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Also Known As: Phenol,2-(aminomethyl)-5-methyl, 5-17-08-00471 (Beilstein Handbook Reference), 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(2-hydroxyphenyl)ethyl)-, 2-(3-{6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-hydroxypropyl)phenol, 2-[3-[6-(2-dimethylaminoethyloxy)-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
| Molecular Formula | C23H29NO6 |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 415.1995 |
| Heavy Atoms | 30 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 40680-96-4 |
|---|---|
| SMILES | CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3O)O)OC)OC |
| InChIKey | ZMIDRJWSHOJQLB-UHFFFAOYSA-N |
Product Overview
RefChem:301176 (CAS 40680-96-4), with molecular formula C23H29NO6 and molecular weight 415.20 g/mol. IUPAC: 2-[3-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol.
Chemical Property Profile of RefChem:301176
Property Insights of RefChem:301176
The XLogP value of 3.4 indicates that RefChem:301176 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:301176. Following Lipinski's Rule of Five, RefChem:301176 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:301176?
The CAS number of RefChem:301176 is 40680-96-4.
What is the molecular formula of RefChem:301176?
The molecular formula of RefChem:301176 is C23H29NO6.
What is the molecular weight of RefChem:301176?
The molecular weight of RefChem:301176 is 415.20 g/mol.
Where can I buy RefChem:301176?
You can request a quote for RefChem:301176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301176?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.