2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)
TL;DR: 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) (CAS 68389-61-7) is a chemical compound with molecular formula C22H32O7 and molecular weight 408.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate
Also Known As: C8-H16-O2.x-(C8H4-O3.C6-H14-O3)x-, 1,3-Isobenzofurandione, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 2-ethylhexanoate, 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate, 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)
| Molecular Formula | C22H32O7 |
|---|---|
| Molecular Weight | 408.21 g/mol |
| LogP | 3.1242 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 408.2148 |
| Heavy Atoms | 29 |
| Complexity | 638.22864 |
Chemical Identifiers
| CAS Number | 68389-61-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC(CC)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O |
Product Overview
2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) (CAS 68389-61-7), with molecular formula C22H32O7 and molecular weight 408.21 g/mol. IUPAC: 2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)
Property Insights of 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)
The XLogP value of 3.1242 indicates that 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1). Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) 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 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)?
The CAS number of 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) is 68389-61-7.
What is the molecular formula of 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)?
The molecular formula of 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) is C22H32O7.
What is the molecular weight of 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)?
The molecular weight of 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) is 408.21 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)?
You can request a quote for 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)butyl 2-ethylhexanoate--2-benzofuran-1,3-dione (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.