3-Formylbut-2-enyl acetate
TL;DR: 3-Formylbut-2-enyl acetate (CAS 14918-80-0) 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.
(3-methyl-4-oxobut-2-enyl) acetate
Also Known As: 3-formylcrotyl acetate, 3-Formylbut-2-enyl acetate, 3-formyl-crotyl acetate, Vitamin A Impurity 74, 3-Formylbut-2-enylacetate
| 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 | 14918-80-0 |
|---|---|
| SMILES | CC(=CCOC(=O)C)C=O |
| InChIKey | LPDDKAJRWGPGSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Formylbut-2-enyl acetate (CAS 14918-80-0), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: (3-methyl-4-oxobut-2-enyl) acetate.
Chemical Property Profile of 3-Formylbut-2-enyl acetate
Property Insights of 3-Formylbut-2-enyl acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formylbut-2-enyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Formylbut-2-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Formylbut-2-enyl acetate 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 3-Formylbut-2-enyl acetate?
The CAS number of 3-Formylbut-2-enyl acetate is 14918-80-0.
What is the molecular formula of 3-Formylbut-2-enyl acetate?
The molecular formula of 3-Formylbut-2-enyl acetate is C7H10O3.
What is the molecular weight of 3-Formylbut-2-enyl acetate?
The molecular weight of 3-Formylbut-2-enyl acetate is 142.06 g/mol.
Where can I buy 3-Formylbut-2-enyl acetate?
You can request a quote for 3-Formylbut-2-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formylbut-2-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Formylbut-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.