Benzalpinacolone
TL;DR: Benzalpinacolone (CAS 5472-37-7) 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.
(E)-4,4-dimethyl-1-phenylpent-1-en-3-one
Also Known As: Benzalpinacolone, Mevastatin, Benzylidenepinacolone, tert-Butyl styryl ketone, Ketone, tert-butyl styryl
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.315 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 328.00323 |
Chemical Identifiers
| CAS Number | 5472-37-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/C1=CC=CC=C1 |
Product Overview
Benzalpinacolone (CAS 5472-37-7), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: (E)-4,4-dimethyl-1-phenylpent-1-en-3-one.
Chemical Property Profile of Benzalpinacolone
Property Insights of Benzalpinacolone
The XLogP value of 3.315 indicates that Benzalpinacolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Benzalpinacolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzalpinacolone 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 Benzalpinacolone?
The CAS number of Benzalpinacolone is 5472-37-7.
What is the molecular formula of Benzalpinacolone?
The molecular formula of Benzalpinacolone is C13H16O.
What is the molecular weight of Benzalpinacolone?
The molecular weight of Benzalpinacolone is 188.12 g/mol.
Where can I buy Benzalpinacolone?
You can request a quote for Benzalpinacolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzalpinacolone?
Yes, KEHONG BIO provides custom synthesis services for Benzalpinacolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.