Hexyl crotonate
TL;DR: Hexyl crotonate (CAS 1617-25-0) 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.
hexyl (E)-but-2-enoate
Also Known As: Hexyl crotonate, Hexyl 2-butenoate, hexyl but-2-enoate, 2-Butenoic acid, hexyl ester, hexylcrotonate
| 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 | 6 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 138.774 |
Chemical Identifiers
| CAS Number | 1617-25-0 |
|---|---|
| SMILES | CCCCCCOC(=O)/C=C/C |
Product Overview
Hexyl crotonate (CAS 1617-25-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: hexyl (E)-but-2-enoate.
Chemical Property Profile of Hexyl crotonate
Property Insights of Hexyl crotonate
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl crotonate. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl crotonate?
The CAS number of Hexyl crotonate is 1617-25-0.
What is the molecular formula of Hexyl crotonate?
The molecular formula of Hexyl crotonate is C10H18O2.
What is the molecular weight of Hexyl crotonate?
The molecular weight of Hexyl crotonate is 170.13 g/mol.
Where can I buy Hexyl crotonate?
You can request a quote for Hexyl crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl crotonate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.