(C10-H20-O4.C9-H4-O5.C8-H6-O4)x-
TL;DR: (C10-H20-O4.C9-H4-O5.C8-H6-O4)x- (CAS 52094-50-5) is a chemical compound with molecular formula C27H30O13 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;1,3-dioxo-2-benzofuran-5-carboxylic acid;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate
Also Known As: (C10-H20-O4.C9-H4-O5.C8-H6-O4)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid and 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, 2,2-Dimethyl-3-hydroxypropyl 2,2-dimethyl-3-hydroxypropionate, isophthalic acid, trimellitic anhydride polymer, 2,2-Dimethyl-3-hydroxypropyl 2,2-dimethyl-3-hydroxypropionate, isophthalic acid, trimellitic anhydride resin, benzene-1,3-dicarboxylic acid; 1,3-dioxo-2-benzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate
| Molecular Formula | C27H30O13 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | 2.345 |
| Topological Polar Surface Area | 222.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.16864 |
| Heavy Atoms | 40 |
| Complexity | 1261.833 |
Chemical Identifiers
| CAS Number | 52094-50-5 |
|---|---|
| SMILES | CC(C)(CO)COC(=O)C(C)(C)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
Product Overview
(C10-H20-O4.C9-H4-O5.C8-H6-O4)x- (CAS 52094-50-5), with molecular formula C27H30O13 and molecular weight 562.17 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;1,3-dioxo-2-benzofuran-5-carboxylic acid;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate.
Chemical Property Profile of (C10-H20-O4.C9-H4-O5.C8-H6-O4)x-
Property Insights of (C10-H20-O4.C9-H4-O5.C8-H6-O4)x-
The XLogP value of 2.345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C10-H20-O4.C9-H4-O5.C8-H6-O4)x-. The TPSA of 222.03 Ų indicates high polarity, suggesting (C10-H20-O4.C9-H4-O5.C8-H6-O4)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C10-H20-O4.C9-H4-O5.C8-H6-O4)x- has 5 hydrogen bond donor(s) and 10 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-H6-O4)x-?
The CAS number of (C10-H20-O4.C9-H4-O5.C8-H6-O4)x- is 52094-50-5.
What is the molecular formula of (C10-H20-O4.C9-H4-O5.C8-H6-O4)x-?
The molecular formula of (C10-H20-O4.C9-H4-O5.C8-H6-O4)x- is C27H30O13.
What is the molecular weight of (C10-H20-O4.C9-H4-O5.C8-H6-O4)x-?
The molecular weight of (C10-H20-O4.C9-H4-O5.C8-H6-O4)x- is 562.17 g/mol.
Where can I buy (C10-H20-O4.C9-H4-O5.C8-H6-O4)x-?
You can request a quote for (C10-H20-O4.C9-H4-O5.C8-H6-O4)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-H6-O4)x-?
Yes, KEHONG BIO provides custom synthesis services for (C10-H20-O4.C9-H4-O5.C8-H6-O4)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.