(C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-
TL;DR: (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- (CAS 68922-25-8) is a chemical compound with molecular formula C48H64O21 and molecular weight 976.39 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;1,3-dioxo-2-benzofuran-5-carboxylic acid;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
Also Known As: (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,4-cyclohexanedimethanol, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol and 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid, Neopentyl glycol, 1,4-dimethanolcyclohexane, trimellitic anhydride, terephthalic acid, 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, isophthalic acid polymer, Neopentyl glycol, 1,4-dimethanolcyclohexane, trimellitic anhydride, terephthalic acid, 3-hydroxy-2,2-dimethylpropyl-3-hydroxy-2,2-dimethylpropanoate, isophthalic acid polymer
| Molecular Formula | C48H64O21 |
|---|---|
| Molecular Weight | 976.39 g/mol |
| LogP | 4.2026 |
| Topological Polar Surface Area | 378.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 15 |
| Exact Mass | 976.394 |
| Heavy Atoms | 69 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 68922-25-8 |
|---|---|
| SMILES | CC(C)(CO)CO.CC(C)(CO)COC(=O)C(C)(C)CO.C1CC(CCC1CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
| InChIKey | QBIAVLRBKKYZTR-UHFFFAOYSA-N |
Product Overview
(C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- (CAS 68922-25-8), with molecular formula C48H64O21 and molecular weight 976.39 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid.
Chemical Property Profile of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-
Property Insights of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-
The XLogP value of 4.2026 indicates that (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 378.0 Ų indicates high polarity, suggesting (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- has 11 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-?
The CAS number of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- is 68922-25-8.
What is the molecular formula of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-?
The molecular formula of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- is C48H64O21.
What is the molecular weight of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-?
The molecular weight of (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- is 976.39 g/mol.
Where can I buy (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-?
You can request a quote for (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.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 (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C10-H20-O4.C9-H4-O5.C8-H16-O2.C8-H6-O4.C8-H6-O4.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.