![1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one structure](/static/products/3524/35243-55-1.webp)
1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one
TL;DR: 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one (CAS 35243-55-1) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2S)-butan-2-yl]phenyl]ethanone
Also Known As: (-)-4 -[(S)-sec-Butyl]acetophenone, 1-[4-[(2S)-butan-2-yl]phenyl]ethanone, 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one, Ethanone, 1-[4-(1-methylpropyl)phenyl]-, (S)-
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.4027 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 284.4977 |
Chemical Identifiers
| CAS Number | 35243-55-1 |
|---|---|
| SMILES | CC[C@H](C)C1=CC=C(C=C1)C(=O)C |
Product Overview
1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one (CAS 35243-55-1), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-[4-[(2S)-butan-2-yl]phenyl]ethanone.
Chemical Property Profile of 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one
Property Insights of 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one
The XLogP value of 3.4027 indicates that 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one 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 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one?
The CAS number of 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one is 35243-55-1.
What is the molecular formula of 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one?
The molecular formula of 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one is C12H16O.
What is the molecular weight of 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one?
The molecular weight of 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one is 176.12 g/mol.
Where can I buy 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one?
You can request a quote for 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(2S)-butan-2-yl]phenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.