C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-
TL;DR: C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- (CAS 64415-30-1) is a chemical compound with molecular formula C24H28O7 and molecular weight 428.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-butylbenzoate
Also Known As: C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-, 1,3-Isobenzofurandione, polymer with 2-(hydroxymethyl)-2-methyl-1,3-propanediol, butylbenzoate, 2-benzofuran-1,3-dione; [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-butylbenzoate, 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl 2-butylbenzoate--2-benzofuran-1,3-dione (1/1)
| Molecular Formula | C24H28O7 |
|---|---|
| Molecular Weight | 428.18 g/mol |
| LogP | 3.1741 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.1835 |
| Heavy Atoms | 31 |
| Complexity | 882.64874 |
Chemical Identifiers
| CAS Number | 64415-30-1 |
|---|---|
| SMILES | CCCCC1=CC=CC=C1C(=O)OCC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O |
Product Overview
C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- (CAS 64415-30-1), with molecular formula C24H28O7 and molecular weight 428.18 g/mol. IUPAC: 2-benzofuran-1,3-dione;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-butylbenzoate.
Chemical Property Profile of C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-
Property Insights of C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-
The XLogP value of 3.1741 indicates that C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- 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 C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-. Following Lipinski's Rule of Five, C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- 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 C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-?
The CAS number of C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- is 64415-30-1.
What is the molecular formula of C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-?
The molecular formula of C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- is C24H28O7.
What is the molecular weight of C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-?
The molecular weight of C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- is 428.18 g/mol.
Where can I buy C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-?
You can request a quote for C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for C11-H14-O2.x-(C8H4-O3.C5-H12-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.