RefChem:1064400
TL;DR: RefChem:1064400 (CAS 41226-49-7) is a chemical compound with molecular formula C27H32ClNO6 and molecular weight 501.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one;hydrochloride
Also Known As: 2-Propen-1-one, 1-(6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(2-hydroxyphenyl)-, hydrochloride, Benzofuran, 6-(2-(azacyclohept-1-yl)ethoxy)-4,7-dimethoxy-5-(2-hydroxycinnamoyl)-, HCl, (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one hydrochloride, RefChem:1064400
| Molecular Formula | C27H32ClNO6 |
|---|---|
| Molecular Weight | 501.19 g/mol |
| LogP | 5.7283 |
| Topological Polar Surface Area | 81.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.1918 |
| Heavy Atoms | 35 |
| Complexity | 1163.933 |
Chemical Identifiers
| CAS Number | 41226-49-7 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(=O)/C=C/C4=CC=CC=C4O.Cl |
Product Overview
RefChem:1064400 (CAS 41226-49-7), with molecular formula C27H32ClNO6 and molecular weight 501.19 g/mol. IUPAC: (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one;hydrochloride.
Chemical Property Profile of RefChem:1064400
Property Insights of RefChem:1064400
The XLogP value of 5.7283 indicates that RefChem:1064400 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064400. Following Lipinski's Rule of Five, RefChem:1064400 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:1064400?
The CAS number of RefChem:1064400 is 41226-49-7.
What is the molecular formula of RefChem:1064400?
The molecular formula of RefChem:1064400 is C27H32ClNO6.
What is the molecular weight of RefChem:1064400?
The molecular weight of RefChem:1064400 is 501.19 g/mol.
Where can I buy RefChem:1064400?
You can request a quote for RefChem:1064400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064400?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.