(C8-H6-O4.C6-H14-O3.C5-H12-O2)x-
TL;DR: (C8-H6-O4.C6-H14-O3.C5-H12-O2)x- (CAS 53808-40-5) is a chemical compound with molecular formula C19H32O9 and molecular weight 404.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;terephthalic acid
Also Known As: (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-, Terephthalic acid, neopentyl glycol, trimethylolpropane polymer, Terephthalic acid, trimethylolpropane, neopentyl glycol polyester, 1,4-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; terephthalic acid
| Molecular Formula | C19H32O9 |
|---|---|
| Molecular Weight | 404.20 g/mol |
| LogP | 0.4399 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.20462 |
| Heavy Atoms | 28 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 53808-40-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O |
| InChIKey | FCRIJAPTRAYPIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(C8-H6-O4.C6-H14-O3.C5-H12-O2)x- (CAS 53808-40-5), with molecular formula C19H32O9 and molecular weight 404.20 g/mol. IUPAC: 2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;terephthalic acid.
Chemical Property Profile of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-
Property Insights of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-
The XLogP value of 0.4399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-. The TPSA of 176.0 Ų indicates high polarity, suggesting (C8-H6-O4.C6-H14-O3.C5-H12-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H6-O4.C6-H14-O3.C5-H12-O2)x- has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
The CAS number of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x- is 53808-40-5.
What is the molecular formula of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
The molecular formula of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x- is C19H32O9.
What is the molecular weight of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
The molecular weight of (C8-H6-O4.C6-H14-O3.C5-H12-O2)x- is 404.20 g/mol.
Where can I buy (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
You can request a quote for (C8-H6-O4.C6-H14-O3.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 (C8-H6-O4.C6-H14-O3.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H6-O4.C6-H14-O3.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.