(C9-H4-O5.C8-H6-O4.C6-H14-O3)x-
TL;DR: (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- (CAS 61424-57-5) is a chemical compound with molecular formula C23H24O12 and molecular weight 492.13 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;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Also Known As: (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-, Trimellitic anhydride, isophthalic acid, trimethylolpropane polymer, 1,3-Benzenedicarboxylic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, benzene-1,3-dicarboxylic acid; 1,3-dioxo-2-benzofuran-5-carboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
| Molecular Formula | C23H24O12 |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 1.1381 |
| Topological Polar Surface Area | 215.96 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.12677 |
| Heavy Atoms | 35 |
| Complexity | 1054.6709 |
Chemical Identifiers
| CAS Number | 61424-57-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
Product Overview
(C9-H4-O5.C8-H6-O4.C6-H14-O3)x- (CAS 61424-57-5), with molecular formula C23H24O12 and molecular weight 492.13 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;1,3-dioxo-2-benzofuran-5-carboxylic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-
Property Insights of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-
The XLogP value of 1.1381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-. The TPSA of 215.96 Ų indicates high polarity, suggesting (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-?
The CAS number of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- is 61424-57-5.
What is the molecular formula of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-?
The molecular formula of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- is C23H24O12.
What is the molecular weight of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-?
The molecular weight of (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- is 492.13 g/mol.
Where can I buy (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-?
You can request a quote for (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C9-H4-O5.C8-H6-O4.C6-H14-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H4-O5.C8-H6-O4.C6-H14-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.