(C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-
TL;DR: (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- (CAS 68797-54-6) is a chemical compound with molecular formula C25H40O12 and molecular weight 532.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;nonanedioic acid
Also Known As: (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-, Nonanedioic acid, polymer with 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, 2-benzofuran-1,3-dione; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid
| Molecular Formula | C25H40O12 |
|---|---|
| Molecular Weight | 532.25 g/mol |
| LogP | 1.2142 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 532.25195 |
| Heavy Atoms | 37 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 68797-54-6 |
|---|---|
| SMILES | CCC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCC(=O)O)CCCC(=O)O.C(CO)O |
| InChIKey | RBCQMAQQAMAUJI-UHFFFAOYSA-N |
Product Overview
(C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- (CAS 68797-54-6), with molecular formula C25H40O12 and molecular weight 532.25 g/mol. IUPAC: 2-benzofuran-1,3-dione;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;nonanedioic acid.
Chemical Property Profile of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-
Property Insights of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-
The XLogP value of 1.2142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-. The TPSA of 219.0 Ų indicates high polarity, suggesting (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-?
The CAS number of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- is 68797-54-6.
What is the molecular formula of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-?
The molecular formula of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- is C25H40O12.
What is the molecular weight of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-?
The molecular weight of (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- is 532.25 g/mol.
Where can I buy (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-?
You can request a quote for (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-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-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H16-O4.C8-H4-O3.C6-H14-O3.C2-H6-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.