(C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-
TL;DR: (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- (CAS 67815-72-9) is a chemical compound with molecular formula C32H44O16 and molecular weight 684.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;hexanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol
Also Known As: (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, hexanedioic acid, 2-(hydroxymethyl)-2-methyl-1,3-propanediol and 1,3-isobenzofurandione, Neopentyl glycol, trimethylolethane, phthalic anhydride, isophthalic acid, adipic acid copolyester, benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol, Trimethylolethane, neopentyl glycol, 1,3-benzenedicarboxylic acid, 1,2-benzenedicarboxylic anhydride, adipic acid polyester
| Molecular Formula | C32H44O16 |
|---|---|
| Molecular Weight | 684.26 g/mol |
| LogP | 1.763 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 684.26294 |
| Heavy Atoms | 48 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 67815-72-9 |
|---|---|
| SMILES | CC(C)(CO)CO.CC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | NXTWYXAQNGWGRJ-UHFFFAOYSA-N |
Product Overview
(C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- (CAS 67815-72-9), with molecular formula C32H44O16 and molecular weight 684.26 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;hexanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol.
Chemical Property Profile of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-
Property Insights of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-
The XLogP value of 1.763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-. The TPSA of 294.0 Ų indicates high polarity, suggesting (C8-H6-O4.C8-H4-O3.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, (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
The CAS number of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- is 67815-72-9.
What is the molecular formula of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
The molecular formula of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- is C32H44O16.
What is the molecular weight of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
The molecular weight of (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- is 684.26 g/mol.
Where can I buy (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
You can request a quote for (C8-H6-O4.C8-H4-O3.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 (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H6-O4.C8-H4-O3.C6-H10-O4.C5-H12-O3.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.