Butyl crotonate
TL;DR: Butyl crotonate (CAS 591-63-9) 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.
butyl (E)-but-2-enoate
Also Known As: BUTYL CROTONATE, Butyl 2-butenoate, n-Butyl crotonate, Butyl=crotonate, butyl (E)-but-2-enoate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9058 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 116.426 |
Chemical Identifiers
| CAS Number | 591-63-9 |
|---|---|
| SMILES | CCCCOC(=O)/C=C/C |
Product Overview
Butyl crotonate (CAS 591-63-9), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: butyl (E)-but-2-enoate.
Chemical Property Profile of Butyl crotonate
Property Insights of Butyl crotonate
The XLogP value of 1.9058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl crotonate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Butyl crotonate?
The CAS number of Butyl crotonate is 591-63-9.
What is the molecular formula of Butyl crotonate?
The molecular formula of Butyl crotonate is C8H14O2.
What is the molecular weight of Butyl crotonate?
The molecular weight of Butyl crotonate is 142.10 g/mol.
Where can I buy Butyl crotonate?
You can request a quote for Butyl crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl crotonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.