C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-
TL;DR: C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- (CAS 68389-58-2) is a chemical compound with molecular formula C27H44O10 and molecular weight 528.29 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;(3-hydroxy-2,2-dimethylpropyl) nonanoate
Also Known As: C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-, 1,3-Isobenzofurandione, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 2,2-dimethyl-1,3-propanediol, nonanoate, 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (3-hydroxy-2,2-dimethylpropyl) nonanoate
| Molecular Formula | C27H44O10 |
|---|---|
| Molecular Weight | 528.29 g/mol |
| LogP | 2.2379 |
| Topological Polar Surface Area | 170.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 528.29346 |
| Heavy Atoms | 37 |
| Complexity | 751.62177 |
Chemical Identifiers
| CAS Number | 68389-58-2 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(C)(C)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(C(CO)(CO)CO)O |
Product Overview
C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- (CAS 68389-58-2), with molecular formula C27H44O10 and molecular weight 528.29 g/mol. IUPAC: 2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)propane-1,3-diol;(3-hydroxy-2,2-dimethylpropyl) nonanoate.
Chemical Property Profile of C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-
Property Insights of C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-
The XLogP value of 2.2379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-. The TPSA of 170.82 Ų indicates high polarity, suggesting C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- has 5 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 C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-?
The CAS number of C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- is 68389-58-2.
What is the molecular formula of C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-?
The molecular formula of C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- is C27H44O10.
What is the molecular weight of C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-?
The molecular weight of C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- is 528.29 g/mol.
Where can I buy C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-?
You can request a quote for C9-H18-O2.(C8H4-O3.C5-H12-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 C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for C9-H18-O2.(C8H4-O3.C5-H12-O4.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.