RefChem:301178
TL;DR: RefChem:301178 (CAS 40680-97-5) 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.
3-[3-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Also Known As: Phenol,2-(aminomethyl)-5-methyl, 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(3-hydroxyphenyl)ethyl)-, 3-(3-{6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-hydroxypropyl)phenol, 3-[3-[6-(2-dimethylaminoethyloxy)-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol, 3-{3-[6-(2-Dimethylamino-ethoxy)-4,7-dimethoxy-benzofuran-5-yl]-3-hydroxy-propyl}-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 | 40680-97-5 |
|---|---|
| SMILES | CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC(=CC=C3)O)O)OC)OC |
| InChIKey | VLWVBEPLZKBNAX-UHFFFAOYSA-N |
Product Overview
RefChem:301178 (CAS 40680-97-5), with molecular formula C23H29NO6 and molecular weight 415.20 g/mol. IUPAC: 3-[3-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol.
Chemical Property Profile of RefChem:301178
Property Insights of RefChem:301178
The XLogP value of 3.4 indicates that RefChem:301178 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:301178. Following Lipinski's Rule of Five, RefChem:301178 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:301178?
The CAS number of RefChem:301178 is 40680-97-5.
What is the molecular formula of RefChem:301178?
The molecular formula of RefChem:301178 is C23H29NO6.
What is the molecular weight of RefChem:301178?
The molecular weight of RefChem:301178 is 415.20 g/mol.
Where can I buy RefChem:301178?
You can request a quote for RefChem:301178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301178?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.