4,4-二甲基-4-硅戊烷-1-磺酸
TL;DR: 4,4-二甲基-4-硅戊烷-1-磺酸 (CAS 18173-90-5) is a chemical compound with molecular formula C6H16O3SSi and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-二甲基-4-硅戊烷-1-磺酸
3-trimethylsilylpropane-1-sulfonic acid
Also Known As: 3-(trimethylsilyl)propane-1-sulfonic acid, 3-trimethylsilylpropane-1-sulfonic acid, DSS (NMR standard), 1-Propanesulfonic acid, 3-(trimethylsilyl)-, 4,4-dimethyl-4-silapentane-1-sulfonic acid
| Molecular Formula | C6H16O3SSi |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.05894 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 18173-90-5 |
|---|---|
| SMILES | C[Si](C)(C)CCCS(=O)(=O)O |
| InChIKey | TVZRAEYQIKYCPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-二甲基-4-硅戊烷-1-磺酸 (CAS 18173-90-5), with molecular formula C6H16O3SSi and molecular weight 196.06 g/mol. IUPAC: 3-trimethylsilylpropane-1-sulfonic acid.
Chemical Property Profile of 4,4-二甲基-4-硅戊烷-1-磺酸
Property Insights of 4,4-二甲基-4-硅戊烷-1-磺酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-二甲基-4-硅戊烷-1-磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-二甲基-4-硅戊烷-1-磺酸. Following Lipinski's Rule of Five, 4,4-二甲基-4-硅戊烷-1-磺酸 has 1 hydrogen bond donor(s) and 3 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 4,4-二甲基-4-硅戊烷-1-磺酸?
The CAS number of 4,4-二甲基-4-硅戊烷-1-磺酸 is 18173-90-5.
What is the molecular formula of 4,4-二甲基-4-硅戊烷-1-磺酸?
The molecular formula of 4,4-二甲基-4-硅戊烷-1-磺酸 is C6H16O3SSi.
What is the molecular weight of 4,4-二甲基-4-硅戊烷-1-磺酸?
The molecular weight of 4,4-二甲基-4-硅戊烷-1-磺酸 is 196.06 g/mol.
Where can I buy 4,4-二甲基-4-硅戊烷-1-磺酸?
You can request a quote for 4,4-二甲基-4-硅戊烷-1-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-二甲基-4-硅戊烷-1-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二甲基-4-硅戊烷-1-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.