(C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-
TL;DR: (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- (CAS 68715-92-4) is a chemical compound with molecular formula C33H44O18 and molecular weight 728.25 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;hexanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol
Also Known As: (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, hexanedioic acid and 2-(hydroxymethyl)-2-methyl-1,3-propanediol, Adipic acid, trimethylolethane, isophthalic acid, neopentyl glycol,trimellitic anhydride polymer, Adipic acid, trimethylolethane, isophthalic acid, neopentyl glycol, trimellitic anhydride polymer, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; hexanedioic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol
| Molecular Formula | C33H44O18 |
|---|---|
| Molecular Weight | 728.25 g/mol |
| LogP | 1.4612 |
| Topological Polar Surface Area | 331.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 728.25275 |
| Heavy Atoms | 51 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 68715-92-4 |
|---|---|
| SMILES | CC(C)(CO)CO.CC(CO)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O |
| InChIKey | LJHFWVSWWXAXGY-UHFFFAOYSA-N |
Product Overview
(C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- (CAS 68715-92-4), with molecular formula C33H44O18 and molecular weight 728.25 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;hexanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol.
Chemical Property Profile of (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-
Property Insights of (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-
The XLogP value of 1.4612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-. The TPSA of 331.0 Ų indicates high polarity, suggesting (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- has 10 hydrogen bond donor(s) and 18 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-H10-O4.C5-H12-O3.C5-H12-O2)x-?
The CAS number of (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- is 68715-92-4.
What is the molecular formula of (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
The molecular formula of (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- is C33H44O18.
What is the molecular weight of (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
The molecular weight of (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- is 728.25 g/mol.
Where can I buy (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
You can request a quote for (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-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 (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H4-O5.C8-H6-O4.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.