叔戊酸叔丁酯
TL;DR: 叔戊酸叔丁酯 (CAS 16474-43-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔戊酸叔丁酯
tert-butyl 2,2-dimethylpropanoate
Also Known As: tert-butyl pivalate, tert-Butyl trimethylacetate, tert-butyl 2,2-dimethylpropanoate, tert-butylpivalate, tert Butyl trimethylacetate
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 16474-43-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC(C)(C)C |
| InChIKey | VXHFNALHLRWIIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔戊酸叔丁酯 (CAS 16474-43-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: tert-butyl 2,2-dimethylpropanoate.
Chemical Property Profile of 叔戊酸叔丁酯
Property Insights of 叔戊酸叔丁酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔戊酸叔丁酯. With a topological polar surface area (TPSA) of 26.3 Ų, 叔戊酸叔丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔戊酸叔丁酯 has 0 hydrogen bond donor(s) and 2 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 叔戊酸叔丁酯?
The CAS number of 叔戊酸叔丁酯 is 16474-43-4.
What is the molecular formula of 叔戊酸叔丁酯?
The molecular formula of 叔戊酸叔丁酯 is C9H18O2.
What is the molecular weight of 叔戊酸叔丁酯?
The molecular weight of 叔戊酸叔丁酯 is 158.13 g/mol.
Where can I buy 叔戊酸叔丁酯?
You can request a quote for 叔戊酸叔丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔戊酸叔丁酯?
Yes, KEHONG BIO provides custom synthesis services for 叔戊酸叔丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.