2-Butenal, 2-((acetyloxy)methyl)-
TL;DR: 2-Butenal, 2-((acetyloxy)methyl)- (CAS 25016-79-9) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-formylbut-2-enyl acetate
Also Known As: 2-Formylbut-2-enyl acetate, 2-formylbut-2-enylacetate, 2-Butenal, 2-((acetyloxy)methyl)-, 2-Butenal, 2-[(acetyloxy)methyl]-, EINECS 246-565-9
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 25016-79-9 |
|---|---|
| SMILES | CC=C(COC(=O)C)C=O |
| InChIKey | SPMALVQSPLOCPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenal, 2-((acetyloxy)methyl)- (CAS 25016-79-9), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: 2-formylbut-2-enyl acetate.
Chemical Property Profile of 2-Butenal, 2-((acetyloxy)methyl)-
Property Insights of 2-Butenal, 2-((acetyloxy)methyl)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenal, 2-((acetyloxy)methyl)-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Butenal, 2-((acetyloxy)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenal, 2-((acetyloxy)methyl)- has 0 hydrogen bond donor(s) and 3 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-Butenal, 2-((acetyloxy)methyl)-?
The CAS number of 2-Butenal, 2-((acetyloxy)methyl)- is 25016-79-9.
What is the molecular formula of 2-Butenal, 2-((acetyloxy)methyl)-?
The molecular formula of 2-Butenal, 2-((acetyloxy)methyl)- is C7H10O3.
What is the molecular weight of 2-Butenal, 2-((acetyloxy)methyl)-?
The molecular weight of 2-Butenal, 2-((acetyloxy)methyl)- is 142.06 g/mol.
Where can I buy 2-Butenal, 2-((acetyloxy)methyl)-?
You can request a quote for 2-Butenal, 2-((acetyloxy)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenal, 2-((acetyloxy)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenal, 2-((acetyloxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.