3'-Methylbutyrophenone
TL;DR: 3'-Methylbutyrophenone (CAS 21550-12-9) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)butan-1-one
Also Known As: 3'-METHYLBUTYROPHENONE, 1-(3-methylphenyl)butan-1-one, 3'-Methyl-Butyrophenone, 1-m-Tolyl-butan-1-one, m-Methylbutyrophenone
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.97782 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 276.08752 |
Chemical Identifiers
| CAS Number | 21550-12-9 |
|---|---|
| SMILES | CCCC(=O)C1=CC=CC(=C1)C |
Product Overview
3'-Methylbutyrophenone (CAS 21550-12-9), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 1-(3-methylphenyl)butan-1-one.
Chemical Property Profile of 3'-Methylbutyrophenone
Property Insights of 3'-Methylbutyrophenone
The XLogP value of 2.97782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Methylbutyrophenone. With a topological polar surface area (TPSA) of 17.07 Ų, 3'-Methylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Methylbutyrophenone 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'-Methylbutyrophenone?
The CAS number of 3'-Methylbutyrophenone is 21550-12-9.
What is the molecular formula of 3'-Methylbutyrophenone?
The molecular formula of 3'-Methylbutyrophenone is C11H14O.
What is the molecular weight of 3'-Methylbutyrophenone?
The molecular weight of 3'-Methylbutyrophenone is 162.10 g/mol.
Where can I buy 3'-Methylbutyrophenone?
You can request a quote for 3'-Methylbutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Methylbutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Methylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.