tert-Amyl formate
TL;DR: tert-Amyl formate (CAS 757-88-0) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-yl formate
Also Known As: tert-Amyl formate, amogastrin, tert-pentyl formate, t-amyl formate, 2-methylbutan-2-yl formate
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 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 | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 757-88-0 |
|---|---|
| SMILES | CCC(C)(C)OC=O |
| InChIKey | SVZIJXUUTNJSEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Amyl formate (CAS 757-88-0), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 2-methylbutan-2-yl formate.
Chemical Property Profile of tert-Amyl formate
Property Insights of tert-Amyl formate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Amyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Amyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Amyl formate 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-Amyl formate?
The CAS number of tert-Amyl formate is 757-88-0.
What is the molecular formula of tert-Amyl formate?
The molecular formula of tert-Amyl formate is C6H12O2.
What is the molecular weight of tert-Amyl formate?
The molecular weight of tert-Amyl formate is 116.08 g/mol.
Where can I buy tert-Amyl formate?
You can request a quote for tert-Amyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Amyl formate?
Yes, KEHONG BIO provides custom synthesis services for tert-Amyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.