2-Methylbutyl (E)-(+)-2-methylisocrotonate
TL;DR: 2-Methylbutyl (E)-(+)-2-methylisocrotonate (CAS 97752-29-9) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutyl (E)-2-methylbut-2-enoate
Also Known As: 2-methylbutyl tiglate, 2-Methylbutyl angelate, Butyl tiglate 2-methyl-1-, EINECS 262-903-8, Tiglic acid 2-methylbutyl ester
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5419 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 170.6774 |
Chemical Identifiers
| CAS Number | 97752-29-9 |
|---|---|
| SMILES | CCC(C)COC(=O)/C(=C/C)/C |
Product Overview
2-Methylbutyl (E)-(+)-2-methylisocrotonate (CAS 97752-29-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-methylbutyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of 2-Methylbutyl (E)-(+)-2-methylisocrotonate
Property Insights of 2-Methylbutyl (E)-(+)-2-methylisocrotonate
The XLogP value of 2.5419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbutyl (E)-(+)-2-methylisocrotonate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylbutyl (E)-(+)-2-methylisocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl (E)-(+)-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 2-Methylbutyl (E)-(+)-2-methylisocrotonate?
The CAS number of 2-Methylbutyl (E)-(+)-2-methylisocrotonate is 97752-29-9.
What is the molecular formula of 2-Methylbutyl (E)-(+)-2-methylisocrotonate?
The molecular formula of 2-Methylbutyl (E)-(+)-2-methylisocrotonate is C10H18O2.
What is the molecular weight of 2-Methylbutyl (E)-(+)-2-methylisocrotonate?
The molecular weight of 2-Methylbutyl (E)-(+)-2-methylisocrotonate is 170.13 g/mol.
Where can I buy 2-Methylbutyl (E)-(+)-2-methylisocrotonate?
You can request a quote for 2-Methylbutyl (E)-(+)-2-methylisocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl (E)-(+)-2-methylisocrotonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl (E)-(+)-2-methylisocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.