C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-
TL;DR: C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- (CAS 68186-58-3) is a chemical compound with molecular formula C22H34O8 and molecular weight 426.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] nonanoate
Also Known As: C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-, 1,3-Benzenedicarboxylic acid, polymer with 2-(hydroxymethyl)-2-methyl-1,3-propanediol, nonanoate, Benzene-1,3-dicarboxylic acid--3-hydroxy-2-(hydroxymethyl)-2-methylpropyl nonanoate (1/1), benzene-1,3-dicarboxylic acid; [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] nonanoate
| Molecular Formula | C22H34O8 |
|---|---|
| Molecular Weight | 426.23 g/mol |
| LogP | 3.3541 |
| Topological Polar Surface Area | 141.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 426.22537 |
| Heavy Atoms | 30 |
| Complexity | 623.04254 |
Chemical Identifiers
| CAS Number | 68186-58-3 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O |
Product Overview
C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- (CAS 68186-58-3), with molecular formula C22H34O8 and molecular weight 426.23 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] nonanoate.
Chemical Property Profile of C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-
Property Insights of C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-
The XLogP value of 3.3541 indicates that C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.36 Ų indicates high polarity, suggesting C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- has 4 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 C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-?
The CAS number of C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- is 68186-58-3.
What is the molecular formula of C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-?
The molecular formula of C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- is C22H34O8.
What is the molecular weight of C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-?
The molecular weight of C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- is 426.23 g/mol.
Where can I buy C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-?
You can request a quote for C9-H18-O2.x-(C8H6-O4.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 C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.