Z-3-Dodecenyl E-crotonate
TL;DR: Z-3-Dodecenyl E-crotonate (CAS 104086-73-9) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-dodec-3-enyl] (Z)-but-2-enoate
Also Known As: Z-3-Dodecenyl E-crotonate, Z-3-Dodecenyl E-2-butenoate, [(E)-dodec-3-enyl] (Z)-but-2-enoate, (Z)-3-Dodecen-1-yl (E)-2-butenoate, 2-Butenoic acid, 3-dodecenyl ester, (E,Z)-
| Molecular Formula | C16H28O2 |
|---|---|
| Molecular Weight | 252.21 g/mol |
| LogP | 4.8026 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 252.20892 |
| Heavy Atoms | 18 |
| Complexity | 241.48152 |
Chemical Identifiers
| CAS Number | 104086-73-9 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCOC(=O)/C=C\C |
Product Overview
Z-3-Dodecenyl E-crotonate (CAS 104086-73-9), with molecular formula C16H28O2 and molecular weight 252.21 g/mol. IUPAC: [(E)-dodec-3-enyl] (Z)-but-2-enoate.
Chemical Property Profile of Z-3-Dodecenyl E-crotonate
Property Insights of Z-3-Dodecenyl E-crotonate
The XLogP value of 4.8026 indicates that Z-3-Dodecenyl E-crotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Z-3-Dodecenyl E-crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Z-3-Dodecenyl E-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 Z-3-Dodecenyl E-crotonate?
The CAS number of Z-3-Dodecenyl E-crotonate is 104086-73-9.
What is the molecular formula of Z-3-Dodecenyl E-crotonate?
The molecular formula of Z-3-Dodecenyl E-crotonate is C16H28O2.
What is the molecular weight of Z-3-Dodecenyl E-crotonate?
The molecular weight of Z-3-Dodecenyl E-crotonate is 252.21 g/mol.
Where can I buy Z-3-Dodecenyl E-crotonate?
You can request a quote for Z-3-Dodecenyl E-crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Z-3-Dodecenyl E-crotonate?
Yes, KEHONG BIO provides custom synthesis services for Z-3-Dodecenyl E-crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.