2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)
TL;DR: 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) (CAS 10141-07-8) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-[(E)-but-2-enoyl]oxybut-2-enyl] (E)-but-2-enoate
Also Known As: Crotylidene dicrotonate, 2-Butenylidene crotonate, CROTONIC ACID, 2-BUTENYLIDENE ESTER, 4-02-00-01505 (Beilstein Handbook Reference), Di[(E)-2-butenoic acid](E)-2-buten-1-ylidene ester
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.1272 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 286.98044 |
Chemical Identifiers
| CAS Number | 10141-07-8 |
|---|---|
| SMILES | C/C=C/C(OC(=O)/C=C/C)OC(=O)/C=C/C |
Product Overview
2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) (CAS 10141-07-8), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: [(E)-1-[(E)-but-2-enoyl]oxybut-2-enyl] (E)-but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)
Property Insights of 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)
The XLogP value of 2.1272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI). With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) has 0 hydrogen bond donor(s) and 4 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-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)?
The CAS number of 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) is 10141-07-8.
What is the molecular formula of 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)?
The molecular formula of 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) is C12H16O4.
What is the molecular weight of 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)?
The molecular weight of 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) is 224.10 g/mol.
Where can I buy 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)?
You can request a quote for 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.