Pentyl 2-methylcrotonate
TL;DR: Pentyl 2-methylcrotonate (CAS 7785-65-1) 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.
pentyl (E)-2-methylbut-2-enoate
Also Known As: Pentyl tiglate, Pentyl 2-methylcrotonate, Amyl tiglate, n-Amyl tiglate, n-Pentyl tiglate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.686 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 159.22151 |
Chemical Identifiers
| CAS Number | 7785-65-1 |
|---|---|
| SMILES | CCCCCOC(=O)/C(=C/C)/C |
Product Overview
Pentyl 2-methylcrotonate (CAS 7785-65-1), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: pentyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of Pentyl 2-methylcrotonate
Property Insights of Pentyl 2-methylcrotonate
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 2-methylcrotonate. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl 2-methylcrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 2-methylcrotonate 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 Pentyl 2-methylcrotonate?
The CAS number of Pentyl 2-methylcrotonate is 7785-65-1.
What is the molecular formula of Pentyl 2-methylcrotonate?
The molecular formula of Pentyl 2-methylcrotonate is C10H18O2.
What is the molecular weight of Pentyl 2-methylcrotonate?
The molecular weight of Pentyl 2-methylcrotonate is 170.13 g/mol.
Where can I buy Pentyl 2-methylcrotonate?
You can request a quote for Pentyl 2-methylcrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-methylcrotonate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-methylcrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.