丙酸叔丁酯
TL;DR: 丙酸叔丁酯 (CAS 20487-40-5) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸叔丁酯
tert-butyl propanoate
Also Known As: tert-Butyl propionate, tert-butyl propanoate, t-Butyl propanoate, t-butyl propionate, tert-Butylpropionate
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 20487-40-5 |
|---|---|
| SMILES | CCC(=O)OC(C)(C)C |
| InChIKey | JAELLLITIZHOGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸叔丁酯 (CAS 20487-40-5), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: tert-butyl propanoate.
Chemical Property Profile of 丙酸叔丁酯
Property Insights of 丙酸叔丁酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸叔丁酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸叔丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸叔丁酯 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 丙酸叔丁酯?
The CAS number of 丙酸叔丁酯 is 20487-40-5.
What is the molecular formula of 丙酸叔丁酯?
The molecular formula of 丙酸叔丁酯 is C7H14O2.
What is the molecular weight of 丙酸叔丁酯?
The molecular weight of 丙酸叔丁酯 is 130.10 g/mol.
Where can I buy 丙酸叔丁酯?
You can request a quote for 丙酸叔丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸叔丁酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸叔丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.