3-Methylbut-2-enyl 2-methylisocrotonate
TL;DR: 3-Methylbut-2-enyl 2-methylisocrotonate (CAS 83783-82-8) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl (Z)-2-methylbut-2-enoate
Also Known As: Prenyl angelate, 3-methyl-2-butenyl angelate, 3-Methylbut-2-enyl 2-methylisocrotonate, EINECS 280-816-3, 3-methylbut-2-enyl 2-methylbut-2-enoate
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.462 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 207.87846 |
Chemical Identifiers
| CAS Number | 83783-82-8 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OCC=C(C)C |
Product Overview
3-Methylbut-2-enyl 2-methylisocrotonate (CAS 83783-82-8), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 3-methylbut-2-enyl (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 3-Methylbut-2-enyl 2-methylisocrotonate
Property Insights of 3-Methylbut-2-enyl 2-methylisocrotonate
The XLogP value of 2.462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbut-2-enyl 2-methylisocrotonate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylbut-2-enyl 2-methylisocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-2-enyl 2-methylisocrotonate 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 3-Methylbut-2-enyl 2-methylisocrotonate?
The CAS number of 3-Methylbut-2-enyl 2-methylisocrotonate is 83783-82-8.
What is the molecular formula of 3-Methylbut-2-enyl 2-methylisocrotonate?
The molecular formula of 3-Methylbut-2-enyl 2-methylisocrotonate is C10H16O2.
What is the molecular weight of 3-Methylbut-2-enyl 2-methylisocrotonate?
The molecular weight of 3-Methylbut-2-enyl 2-methylisocrotonate is 168.12 g/mol.
Where can I buy 3-Methylbut-2-enyl 2-methylisocrotonate?
You can request a quote for 3-Methylbut-2-enyl 2-methylisocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbut-2-enyl 2-methylisocrotonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbut-2-enyl 2-methylisocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.