(C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-
TL;DR: (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- (CAS 67939-21-3) is a chemical compound with molecular formula C28H36O11 and molecular weight 548.23 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;furan-2,5-dione;propane-1,2-diol;styrene
Also Known As: (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-, Neopentyl glycol, propylene glycol, isophthalic acid, maleic anhydride, styrene resin, 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, ethenylbenzene, 2,5-furandione and 1,2-propanediol, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol; styrene
| Molecular Formula | C28H36O11 |
|---|---|
| Molecular Weight | 548.23 g/mol |
| LogP | 2.3953 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.22577 |
| Heavy Atoms | 39 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 67939-21-3 |
|---|---|
| SMILES | CC(CO)O.CC(C)(CO)CO.C=CC1=CC=CC=C1.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O |
| InChIKey | IASCCVXNQOTHIB-UHFFFAOYSA-N |
Product Overview
(C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- (CAS 67939-21-3), with molecular formula C28H36O11 and molecular weight 548.23 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;furan-2,5-dione;propane-1,2-diol;styrene.
Chemical Property Profile of (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-
Property Insights of (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-
The XLogP value of 2.3953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-. The TPSA of 199.0 Ų indicates high polarity, suggesting (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- has 6 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 (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
The CAS number of (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- is 67939-21-3.
What is the molecular formula of (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
The molecular formula of (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- is C28H36O11.
What is the molecular weight of (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
The molecular weight of (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- is 548.23 g/mol.
Where can I buy (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
You can request a quote for (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.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 (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H8.C8-H6-O4.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.