RefChem:415071
TL;DR: RefChem:415071 (CAS 53196-94-4) is a chemical compound with molecular formula C31H20O8 and molecular weight 520.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
Also Known As: 4,5'-[isopropylidenebis[oxy]]bis, 4,5'-[Isopropylidenebis[ oxy]]bis, 2-(4-(2,3-Dicarboxyphenoxy)phenyl)-2-(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride, 1,3-Isobenzofurandione, 4-[4-[1-[4-[(1,3-dihydro-1,3-dioxo-5-isobenzofuranyl)oxy]phenyl]-1-methylethyl]phenoxy]-, 1,3-Isobenzofurandione, 4-(4-(1-(4-((1,3-dihydro-1,3-dioxo-5-isobenzofuranyl)oxy)phenyl)-1-methylethyl)phenoxy)-
| Molecular Formula | C31H20O8 |
|---|---|
| Molecular Weight | 520.12 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.11584 |
| Heavy Atoms | 39 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 53196-94-4 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)OC3=O)C4=CC=C(C=C4)OC5=CC=CC6=C5C(=O)OC6=O |
| InChIKey | KCEJBGHRVGDEIW-UHFFFAOYSA-N |
Product Overview
RefChem:415071 (CAS 53196-94-4), with molecular formula C31H20O8 and molecular weight 520.12 g/mol. IUPAC: 4-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione.
Chemical Property Profile of RefChem:415071
Property Insights of RefChem:415071
The XLogP value of 6.5 indicates that RefChem:415071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:415071. Following Lipinski's Rule of Five, RefChem:415071 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:415071?
The CAS number of RefChem:415071 is 53196-94-4.
What is the molecular formula of RefChem:415071?
The molecular formula of RefChem:415071 is C31H20O8.
What is the molecular weight of RefChem:415071?
The molecular weight of RefChem:415071 is 520.12 g/mol.
Where can I buy RefChem:415071?
You can request a quote for RefChem:415071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:415071?
Yes, KEHONG BIO provides custom synthesis services for RefChem:415071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.