RefChem:1075537
TL;DR: RefChem:1075537 (CAS 52608-00-1) is a chemical compound with molecular formula C21H17ClO7 and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]acetic acid
Also Known As: ((5-(3-(4-Chlorophenyl)-1-oxo-2-propenyl)-4,7-dimethoxy-6-benzofuranyl)oxy)acetic acid, Acetic acid, ((5-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-4,7-dimethoxy-6-benzofuranyl)oxy)-, (Chloro-4' cinnamoyl)-5 dimethoxy-4,7 carboxymethoxy-6 benzofuranne [French], (Chloro-4' cinnamoyl)-5 dimethoxy-4,7 carboxymethoxy-6 benzofuranne, 2-[[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]acetic acid
| Molecular Formula | C21H17ClO7 |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 4.4629 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.06628 |
| Heavy Atoms | 29 |
| Complexity | 1080.5978 |
Chemical Identifiers
| CAS Number | 52608-00-1 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCC(=O)O)C(=O)/C=C/C3=CC=C(C=C3)Cl |
Product Overview
RefChem:1075537 (CAS 52608-00-1), with molecular formula C21H17ClO7 and molecular weight 416.07 g/mol. IUPAC: 2-[[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]acetic acid.
Chemical Property Profile of RefChem:1075537
Property Insights of RefChem:1075537
The XLogP value of 4.4629 indicates that RefChem:1075537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075537. Following Lipinski's Rule of Five, RefChem:1075537 has 1 hydrogen bond donor(s) and 6 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:1075537?
The CAS number of RefChem:1075537 is 52608-00-1.
What is the molecular formula of RefChem:1075537?
The molecular formula of RefChem:1075537 is C21H17ClO7.
What is the molecular weight of RefChem:1075537?
The molecular weight of RefChem:1075537 is 416.07 g/mol.
Where can I buy RefChem:1075537?
You can request a quote for RefChem:1075537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075537?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.