C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-
TL;DR: C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- (CAS 68186-77-6) is a chemical compound with molecular formula C31H52O8 and molecular weight 552.37 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] octadecanoate
Also Known As: C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-, 1,3-Benzenedicarboxylic acid, polymer with 2-(hydroxymethyl)-2-methyl-1,3-propanediol, octadecanoate, Benzene-1,3-dicarboxylic Acid; [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] Octadecanoate, benzene-1,3-dicarboxylic acid; [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate, Benzene-1,3-dicarboxylic acid--3-hydroxy-2-(hydroxymethyl)-2-methylpropyl octadecanoate (1/1)
| Molecular Formula | C31H52O8 |
|---|---|
| Molecular Weight | 552.37 g/mol |
| LogP | 6.865 |
| Topological Polar Surface Area | 141.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 552.3662 |
| Heavy Atoms | 39 |
| Complexity | 759.2985 |
Chemical Identifiers
| CAS Number | 68186-77-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O |
Product Overview
C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- (CAS 68186-77-6), with molecular formula C31H52O8 and molecular weight 552.37 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate.
Chemical Property Profile of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-
Property Insights of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-
The XLogP value of 6.865 indicates that C18-H36-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 C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-?
The CAS number of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- is 68186-77-6.
What is the molecular formula of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-?
The molecular formula of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- is C31H52O8.
What is the molecular weight of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-?
The molecular weight of C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- is 552.37 g/mol.
Where can I buy C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-?
You can request a quote for C18-H36-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 C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.