RefChem:536400
TL;DR: RefChem:536400 (CAS 69868-19-5) is a chemical compound with molecular formula C22H14O13 and molecular weight 486.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-2-benzofuran-5-carbonyl)oxymethoxymethoxymethoxymethyl 1,3-dioxo-2-benzofuran-5-carboxylate
Also Known As: Trimellitic anhydride, tetraethylene glycol diester, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, oxybis(methyleneoxymethylene) ester, Oxybis(methyleneoxymethylene) bis(1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate), 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 5,5'-(oxybis(methyleneoxymethylene)) ester, 9-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)-9-oxo-2,4,6,8-tetraoxanon-1-yl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate
| Molecular Formula | C22H14O13 |
|---|---|
| Molecular Weight | 486.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 486.04343 |
| Heavy Atoms | 35 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 69868-19-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)OCOCOCOCOC(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O |
| InChIKey | KVUKZSJWHADELQ-UHFFFAOYSA-N |
Product Overview
RefChem:536400 (CAS 69868-19-5), with molecular formula C22H14O13 and molecular weight 486.04 g/mol. IUPAC: (1,3-dioxo-2-benzofuran-5-carbonyl)oxymethoxymethoxymethoxymethyl 1,3-dioxo-2-benzofuran-5-carboxylate.
Chemical Property Profile of RefChem:536400
Property Insights of RefChem:536400
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:536400. The TPSA of 167.0 Ų indicates high polarity, suggesting RefChem:536400 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:536400 has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:536400?
The CAS number of RefChem:536400 is 69868-19-5.
What is the molecular formula of RefChem:536400?
The molecular formula of RefChem:536400 is C22H14O13.
What is the molecular weight of RefChem:536400?
The molecular weight of RefChem:536400 is 486.04 g/mol.
Where can I buy RefChem:536400?
You can request a quote for RefChem:536400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:536400?
Yes, KEHONG BIO provides custom synthesis services for RefChem:536400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.