C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-
TL;DR: C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- (CAS 68070-96-2) is a chemical compound with molecular formula C35H50O11 and molecular weight 646.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;tridecane
Also Known As: C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid and 2,2-dimethyl-1,3-propanediol, tridecyl ester, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; tridecane
| Molecular Formula | C35H50O11 |
|---|---|
| Molecular Weight | 646.34 g/mol |
| LogP | 7.0929 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 646.3353 |
| Heavy Atoms | 46 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 68070-96-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
| InChIKey | AHZGLGPYCAOXTN-UHFFFAOYSA-N |
Product Overview
C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- (CAS 68070-96-2), with molecular formula C35H50O11 and molecular weight 646.34 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;tridecane.
Chemical Property Profile of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-
Property Insights of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-
The XLogP value of 7.0929 indicates that C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-?
The CAS number of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- is 68070-96-2.
What is the molecular formula of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-?
The molecular formula of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- is C35H50O11.
What is the molecular weight of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-?
The molecular weight of C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- is 646.34 g/mol.
Where can I buy C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-?
You can request a quote for C13-H28-O.x-(C9H4-O5.C8-H6-O4.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 C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for C13-H28-O.x-(C9H4-O5.C8-H6-O4.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.