tert-Butyl Crotonate
TL;DR: tert-Butyl Crotonate (CAS 73981-49-4) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (E)-but-2-enoate
Also Known As: tert-Butyl crotonate, t-butyl crotonate, tert-butyl but-2-enoate, Crotonic Acid tert-Butyl Ester, tert-butyl (E)-but-2-enoate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9042 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 139.82681 |
Chemical Identifiers
| CAS Number | 73981-49-4 |
|---|---|
| SMILES | C/C=C/C(=O)OC(C)(C)C |
Product Overview
tert-Butyl Crotonate (CAS 73981-49-4), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: tert-butyl (E)-but-2-enoate.
Chemical Property Profile of tert-Butyl Crotonate
Property Insights of tert-Butyl Crotonate
The XLogP value of 1.9042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl Crotonate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl Crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl Crotonate 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 Crotonate?
The CAS number of tert-Butyl Crotonate is 73981-49-4.
What is the molecular formula of tert-Butyl Crotonate?
The molecular formula of tert-Butyl Crotonate is C8H14O2.
What is the molecular weight of tert-Butyl Crotonate?
The molecular weight of tert-Butyl Crotonate is 142.10 g/mol.
Where can I buy tert-Butyl Crotonate?
You can request a quote for tert-Butyl Crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl Crotonate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl Crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.