(C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2
TL;DR: (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 (CAS 68389-64-0) is a chemical compound with molecular formula C32H54O13 and molecular weight 646.36 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) 3-hydroxy-2,2-dimethylpropanoate;nonanoic acid
Also Known As: (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2, Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, nonanoate, 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate; nonanoic acid
| Molecular Formula | C32H54O13 |
|---|---|
| Molecular Weight | 646.36 g/mol |
| LogP | 2.3274 |
| Topological Polar Surface Area | 228.35 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 646.35645 |
| Heavy Atoms | 45 |
| Complexity | 950.02527 |
Chemical Identifiers
| CAS Number | 68389-64-0 |
|---|---|
| SMILES | CCCCCCCCC(=O)O.CC(C)(CO)COC(=O)C(C)(C)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(C(CO)(CO)CO)O |
Product Overview
(C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 (CAS 68389-64-0), with molecular formula C32H54O13 and molecular weight 646.36 g/mol. IUPAC: 2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)propane-1,3-diol;(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate;nonanoic acid.
Chemical Property Profile of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2
Property Insights of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2
The XLogP value of 2.3274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2. The TPSA of 228.35 Ų indicates high polarity, suggesting (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2?
The CAS number of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 is 68389-64-0.
What is the molecular formula of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2?
The molecular formula of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 is C32H54O13.
What is the molecular weight of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2?
The molecular weight of (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 is 646.36 g/mol.
Where can I buy (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2?
You can request a quote for (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2?
Yes, KEHONG BIO provides custom synthesis services for (C10-H20-O4.C8-H4-O3.C5-H12-O4)x-.x-C9-H18-O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.