(C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-
TL;DR: (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- (CAS 5453-13-4) is a chemical compound with molecular formula C23H30O12 and molecular weight 498.17 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;ethane-1,2-diol;terephthalic acid
Also Known As: (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol and 1,2-ethanediol, Terephthalic acid, isophthalic acid, ethylene glycol, neopentyl glycol polymer, 2,2-dimethylpropane-1,3-diol; ethylene glycol; isophthalic acid; terephthalic acid, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
| Molecular Formula | C23H30O12 |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 1.1342 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.17374 |
| Heavy Atoms | 35 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 5453-13-4 |
|---|---|
| SMILES | CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O |
| InChIKey | NICCTRIZSSAXQY-UHFFFAOYSA-N |
Product Overview
(C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- (CAS 5453-13-4), with molecular formula C23H30O12 and molecular weight 498.17 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;terephthalic acid.
Chemical Property Profile of (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-
Property Insights of (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-
The XLogP value of 1.1342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-. The TPSA of 230.0 Ų indicates high polarity, suggesting (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- has 8 hydrogen bond donor(s) and 12 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.C5-H12-O2.C2-H6-O2)x-?
The CAS number of (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- is 5453-13-4.
What is the molecular formula of (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-?
The molecular formula of (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- is C23H30O12.
What is the molecular weight of (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-?
The molecular weight of (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- is 498.17 g/mol.
Where can I buy (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x-?
You can request a quote for (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-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.C5-H12-O2.C2-H6-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H6-O4.C8-H6-O4.C5-H12-O2.C2-H6-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.