(C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-
TL;DR: (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- (CAS 68877-68-9) is a chemical compound with molecular formula C39H50O17 and molecular weight 790.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;7,7-dimethyl-2-(oxiran-2-ylmethyl)octanoic acid;1,3-dioxo-2-benzofuran-5-carboxylic acid;hexanedioic acid;propane-1,2-diol
Also Known As: (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-, Hexanedioic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 1,3-isobenzofurandione, oxiranylmethyl neodecanoate and 1,2-propanediol, 2-benzofuran-1,3-dione; 7,7-dimethyl-2-(oxiran-2-ylmethyl)octanoic acid; 1,3-dioxo-2-benzofuran-5-carboxylic acid; hexanedioic acid; propane-1,2-diol, Hexanedioic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 1,3-isobenzofurandione, 2-oxiranylmethyl neodecanoate and 1,2-propanediol, Neodecanoic acid, glycidyl ester, propylene glycol, phthalic anhydride, adipic acid, trimellitic anhydride polymer
| Molecular Formula | C39H50O17 |
|---|---|
| Molecular Weight | 790.30 g/mol |
| LogP | 4.8507 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Exact Mass | 790.3048 |
| Heavy Atoms | 56 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 68877-68-9 |
|---|---|
| SMILES | CC(CO)O.CC(C)(C)CCCCC(CC1CO1)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O |
| InChIKey | BWNOPYFXTUHNHZ-UHFFFAOYSA-N |
Product Overview
(C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- (CAS 68877-68-9), with molecular formula C39H50O17 and molecular weight 790.30 g/mol. IUPAC: 2-benzofuran-1,3-dione;7,7-dimethyl-2-(oxiran-2-ylmethyl)octanoic acid;1,3-dioxo-2-benzofuran-5-carboxylic acid;hexanedioic acid;propane-1,2-diol.
Chemical Property Profile of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-
Property Insights of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-
The XLogP value of 4.8507 indicates that (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 289.0 Ų indicates high polarity, suggesting (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-?
The CAS number of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- is 68877-68-9.
What is the molecular formula of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-?
The molecular formula of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- is C39H50O17.
What is the molecular weight of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-?
The molecular weight of (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- is 790.30 g/mol.
Where can I buy (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-?
You can request a quote for (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C13-H24-O3.C9-H4-O5.C8-H4-O3.C6-H10-O4.C3-H8-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.