tert-Butyl butyrate
TL;DR: tert-Butyl butyrate (CAS 2308-38-5) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl butanoate
Also Known As: tert-butyl butanoate, tert-Butyl butyrate, tert-butylbutanoate, t-butyl butyrate, tertiary butyl butyrate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 2308-38-5 |
|---|---|
| SMILES | CCCC(=O)OC(C)(C)C |
| InChIKey | TWBUVVYSQBFVGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl butyrate (CAS 2308-38-5), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: tert-butyl butanoate.
Chemical Property Profile of tert-Butyl butyrate
Property Insights of tert-Butyl butyrate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl butyrate 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 tert-Butyl butyrate?
The CAS number of tert-Butyl butyrate is 2308-38-5.
What is the molecular formula of tert-Butyl butyrate?
The molecular formula of tert-Butyl butyrate is C8H16O2.
What is the molecular weight of tert-Butyl butyrate?
The molecular weight of tert-Butyl butyrate is 144.12 g/mol.
Where can I buy tert-Butyl butyrate?
You can request a quote for tert-Butyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.