![[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate structure](/static/products/2844/28441-61-4.webp)
[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate
TL;DR: [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate (CAS 28441-61-4) is a chemical compound with molecular formula C21H32O9S and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate
Also Known As: [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate|[5-(Dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl](2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C21H32O9S |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.1767 |
| Heavy Atoms | 31 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 28441-61-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C2COC(O2)(C)C)C3C(OC(O3)(C)C)C(OC)OC |
| InChIKey | IMSKFQCOQDKJKO-UHFFFAOYSA-N |
Product Overview
[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate (CAS 28441-61-4), with molecular formula C21H32O9S and molecular weight 460.18 g/mol. IUPAC: [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate.
Chemical Property Profile of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate
Property Insights of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate?
The CAS number of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate is 28441-61-4.
What is the molecular formula of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate?
The molecular formula of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate is C21H32O9S.
What is the molecular weight of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate?
The molecular weight of [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate is 460.18 g/mol.
Where can I buy [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate?
You can request a quote for [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.