(C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-
TL;DR: (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- (CAS 67874-87-7) is a chemical compound with molecular formula C41H54O19 and molecular weight 850.33 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;dimethyl cyclohexane-1,4-dicarboxylate;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;furan-2,5-dione
Also Known As: (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)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, 2,5-furandione and 1,3-isobenzofurandione, 1,3-Benzenedicarboxylic acid, polymer with dimethyl 1,4-cyclohexanedicarboxylate, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 2,5-furandione and 1,3-isobenzofurandione, benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione, Phthalic anhydride, isophthalic acid, maleic anhydride, trimethylolpropane, 1,4-cyclohexanedicarboxylic acid, dimethyl ester, neopentyl glycol polymer
| Molecular Formula | C41H54O19 |
|---|---|
| Molecular Weight | 850.33 g/mol |
| LogP | 2.2019 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 850.3259 |
| Heavy Atoms | 60 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 67874-87-7 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.COC(=O)C1CCC(CC1)C(=O)OC.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O |
| InChIKey | XDJLABJNOLQLRH-UHFFFAOYSA-N |
Product Overview
(C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- (CAS 67874-87-7), with molecular formula C41H54O19 and molecular weight 850.33 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2-benzofuran-1,3-dione;dimethyl cyclohexane-1,4-dicarboxylate;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;furan-2,5-dione.
Chemical Property Profile of (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-
Property Insights of (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-
The XLogP value of 2.2019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-. The TPSA of 315.0 Ų indicates high polarity, suggesting (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- has 7 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 (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-?
The CAS number of (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- is 67874-87-7.
What is the molecular formula of (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-?
The molecular formula of (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- is C41H54O19.
What is the molecular weight of (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-?
The molecular weight of (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- is 850.33 g/mol.
Where can I buy (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-?
You can request a quote for (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C10-H16-O4.C8-H6-O4.C8-H4-O3.C6-H14-O3.C5-H12-O2.C4-H2-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.