![4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid structure](/static/products/5248/52485-63-9.webp)
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid
TL;DR: 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid (CAS 52485-63-9) is a chemical compound with molecular formula C19H29NO8S and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-amine;4-methylbenzenesulfonic acid
Also Known As: 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-amine (1/1), 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-amine; 4-methylbenzenesulfonic acid, 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-amine;4-methylbenzenesulfonic acid
| Molecular Formula | C19H29NO8S |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 1.58332 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.16138 |
| Heavy Atoms | 29 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 52485-63-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(OCC(O1)C2C3C(C(O2)N)OC(O3)(C)C)C |
| InChIKey | GJPGXLLYKJRBMY-UHFFFAOYSA-N |
Product Overview
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid (CAS 52485-63-9), with molecular formula C19H29NO8S and molecular weight 431.16 g/mol. IUPAC: 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-amine;4-methylbenzenesulfonic acid.
Chemical Property Profile of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid
Property Insights of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid
The XLogP value of 1.58332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid has 2 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 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid?
The CAS number of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid is 52485-63-9.
What is the molecular formula of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid?
The molecular formula of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid is C19H29NO8S.
What is the molecular weight of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid?
The molecular weight of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid is 431.16 g/mol.
Where can I buy 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid?
You can request a quote for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]octan-2-amine; 4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.