(C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-
TL;DR: (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- (CAS 53808-41-6) is a chemical compound with molecular formula C27H38O13 and molecular weight 570.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;terephthalic acid
Also Known As: (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-, Neopentyl glycol, isophthalic acid, terephthalic acid, trimethylolpropane polymer, 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, Neopentyl glycol, trimethylolpropane, isophthalic acid, 1,4-benzenedicarboxylic acid polymer, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; terephthalic acid
| Molecular Formula | C27H38O13 |
|---|---|
| Molecular Weight | 570.23 g/mol |
| LogP | 1.5229 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 570.23126 |
| Heavy Atoms | 40 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 53808-41-6 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O |
| InChIKey | DNMUTMYOCQCJSO-UHFFFAOYSA-N |
Product Overview
(C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- (CAS 53808-41-6), with molecular formula C27H38O13 and molecular weight 570.23 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;terephthalic acid.
Chemical Property Profile of (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-
Property Insights of (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-
The XLogP value of 1.5229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-. The TPSA of 250.0 Ų indicates high polarity, suggesting (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- has 9 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 (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
The CAS number of (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- is 53808-41-6.
What is the molecular formula of (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
The molecular formula of (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- is C27H38O13.
What is the molecular weight of (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
The molecular weight of (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- is 570.23 g/mol.
Where can I buy (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
You can request a quote for (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H6-O4.C8-H6-O4.C6-H14-O3.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.