Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate
TL;DR: Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate (CAS 68186-49-2) is a chemical compound with molecular formula C25H36O13 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)propane-1,3-diol;(E)-but-2-enedioic acid;octanoic acid
Also Known As: Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate, C8-H16-O2.x-(C8H4-O3.C5-H12-O4.C4-H4-O4)x-, 2-Butenedioic acid (2E)-, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, octanoate, 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-but-2-enedioic acid; octanoic acid, 2-Butenedioic acid (E)-, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, octanoate
| Molecular Formula | C25H36O13 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 1.0825 |
| Topological Polar Surface Area | 236.19 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 544.2156 |
| Heavy Atoms | 38 |
| Complexity | 837.7637 |
Chemical Identifiers
| CAS Number | 68186-49-2 |
|---|---|
| SMILES | CCCCCCCC(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(C(CO)(CO)CO)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate (CAS 68186-49-2), with molecular formula C25H36O13 and molecular weight 544.22 g/mol. IUPAC: 2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)propane-1,3-diol;(E)-but-2-enedioic acid;octanoic acid.
Chemical Property Profile of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate
Property Insights of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate
The XLogP value of 1.0825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate. The TPSA of 236.19 Ų indicates high polarity, suggesting Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate?
The CAS number of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate is 68186-49-2.
What is the molecular formula of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate?
The molecular formula of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate is C25H36O13.
What is the molecular weight of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate?
The molecular weight of Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate is 544.22 g/mol.
Where can I buy Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate?
You can request a quote for Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.