RefChem:301185
TL;DR: RefChem:301185 (CAS 40681-06-9) 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.
2-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Also Known As: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-alpha-(2-(2-hydroxyphenyl)ethyl)-, 2-(3-{6-[2-(Azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-hydroxypropyl)phenol, 2-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol, 3-(3-{4,7-dimethoxy-6-[2-(pyrrolidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-hydroxypropyl)phenol, 4,7-Dimethoxy-6-[2-(hexahydro-1H-azepin-1-yl)ethoxy]-alpha-[2-(2-hydroxyphenyl)ethyl]-5-benzofuranmethanol
| Molecular Formula | C27H35NO6 |
|---|---|
| Molecular Weight | 469.25 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.24643 |
| Heavy Atoms | 34 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 40681-06-9 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(CCC4=CC=CC=C4O)O |
| InChIKey | FWBASZLSQMEXMZ-UHFFFAOYSA-N |
Product Overview
RefChem:301185 (CAS 40681-06-9), with molecular formula C27H35NO6 and molecular weight 469.25 g/mol. IUPAC: 2-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol.
Chemical Property Profile of RefChem:301185
Property Insights of RefChem:301185
The XLogP value of 4.6 indicates that RefChem:301185 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:301185. Following Lipinski's Rule of Five, RefChem:301185 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:301185?
The CAS number of RefChem:301185 is 40681-06-9.
What is the molecular formula of RefChem:301185?
The molecular formula of RefChem:301185 is C27H35NO6.
What is the molecular weight of RefChem:301185?
The molecular weight of RefChem:301185 is 469.25 g/mol.
Where can I buy RefChem:301185?
You can request a quote for RefChem:301185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.