3-Methylbut-3-en-2-one; styrene
TL;DR: 3-Methylbut-3-en-2-one; styrene (CAS 25191-48-4) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-3-en-2-one;styrene
Also Known As: 3-methylbut-3-en-2-one; styrene, 3-methylbut-3-en-2-one,styrene, 3-methylbut-3-en-2-one;styrene, 3-Methylbut-3-en-2-one--ethenylbenzene (1/1), STYRENE 3-METHYL-3-BUTEN-2-ONE POLYMER MIXTURE
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.48 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 25191-48-4 |
|---|---|
| SMILES | CC(=C)C(=O)C.C=CC1=CC=CC=C1 |
| InChIKey | AIOAIRTXDLRLEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbut-3-en-2-one; styrene (CAS 25191-48-4), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 3-methylbut-3-en-2-one;styrene.
Chemical Property Profile of 3-Methylbut-3-en-2-one; styrene
Property Insights of 3-Methylbut-3-en-2-one; styrene
The XLogP value of 3.48 indicates that 3-Methylbut-3-en-2-one; styrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methylbut-3-en-2-one; styrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-3-en-2-one; styrene has 0 hydrogen bond donor(s) and 1 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-Methylbut-3-en-2-one; styrene?
The CAS number of 3-Methylbut-3-en-2-one; styrene is 25191-48-4.
What is the molecular formula of 3-Methylbut-3-en-2-one; styrene?
The molecular formula of 3-Methylbut-3-en-2-one; styrene is C13H16O.
What is the molecular weight of 3-Methylbut-3-en-2-one; styrene?
The molecular weight of 3-Methylbut-3-en-2-one; styrene is 188.12 g/mol.
Where can I buy 3-Methylbut-3-en-2-one; styrene?
You can request a quote for 3-Methylbut-3-en-2-one; styrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbut-3-en-2-one; styrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbut-3-en-2-one; styrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.