2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-
TL;DR: 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- (CAS 79694-79-4) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-hydroxy-5-(1-hydroxyethyl)phenyl]-3-methylbut-2-en-1-one
Also Known As: 2-buten-1-one,1-(2-hydroxy-5-3-methyl-, 1-[2-hydroxy-5-(1-hydroxyethyl)phenyl]-3-methylbut-2-en-1-one, 2-Buten-1-one,1-(2-hydroxy-5- -3-methyl-, 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-, 2-(3-Methyl-1-oxo-2-butenyl)-4-(1-hydroxyethyl)phenol
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 79694-79-4 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)O)C(=O)C=C(C)C)O |
| InChIKey | BOYBLQMJGIRKDQ-UHFFFAOYSA-N |
Product Overview
2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- (CAS 79694-79-4), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 1-[2-hydroxy-5-(1-hydroxyethyl)phenyl]-3-methylbut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-
Property Insights of 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-. With a topological polar surface area (TPSA) of 57.5 Ų, 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- has 2 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-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-?
The CAS number of 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- is 79694-79-4.
What is the molecular formula of 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-?
The molecular formula of 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- is C13H16O3.
What is the molecular weight of 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-?
The molecular weight of 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- is 220.11 g/mol.
Where can I buy 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-?
You can request a quote for 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.