benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid
TL;DR: benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid (CAS 89911-11-5) is a chemical compound with molecular formula C44H78O19 and molecular weight 910.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;dimethyl cyclohexane-1,4-dicarboxylate;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol;nonanedioic acid
Also Known As: benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid, 1,3-Benzenedicarboxylic acid, polymer with dimethyl 1,4-cyclohexanedicarboxylate, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol and nonanedioic acid, (C10-H16-O4.C9-H16-O4.C8-H6-O4.C6-H14-O3.C6-H14-O2.C5-H12-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,4-dimethyl 1,4-cyclohexanedicarboxylate, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol and nonanedioic acid
| Molecular Formula | C44H78O19 |
|---|---|
| Molecular Weight | 910.51 g/mol |
| LogP | 3.9964 |
| Topological Polar Surface Area | 343.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Exact Mass | 910.51373 |
| Heavy Atoms | 63 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 89911-11-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.COC(=O)C1CCC(CC1)C(=O)OC.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO |
| InChIKey | YGIZEVOUDCNGKV-UHFFFAOYSA-N |
Product Overview
benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid (CAS 89911-11-5), with molecular formula C44H78O19 and molecular weight 910.51 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;dimethyl cyclohexane-1,4-dicarboxylate;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol;nonanedioic acid.
Chemical Property Profile of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid
Property Insights of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid
The XLogP value of 3.9964 indicates that benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 343.0 Ų indicates high polarity, suggesting benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid?
The CAS number of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid is 89911-11-5.
What is the molecular formula of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid?
The molecular formula of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid is C44H78O19.
What is the molecular weight of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid?
The molecular weight of benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid is 910.51 g/mol.
Where can I buy benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid?
You can request a quote for benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.