5-(4-Methylphenyl)hexan-2-one
TL;DR: 5-(4-Methylphenyl)hexan-2-one (CAS 7511-95-7) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)hexan-2-one
Also Known As: 5-(4-methylphenyl)hexan-2-one
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 7511-95-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)CCC(=O)C |
| InChIKey | ZIDUJCHAYXSXNA-UHFFFAOYSA-N |
Product Overview
5-(4-Methylphenyl)hexan-2-one (CAS 7511-95-7), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 5-(4-methylphenyl)hexan-2-one.
Chemical Property Profile of 5-(4-Methylphenyl)hexan-2-one
Property Insights of 5-(4-Methylphenyl)hexan-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methylphenyl)hexan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 5-(4-Methylphenyl)hexan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methylphenyl)hexan-2-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 5-(4-Methylphenyl)hexan-2-one?
The CAS number of 5-(4-Methylphenyl)hexan-2-one is 7511-95-7.
What is the molecular formula of 5-(4-Methylphenyl)hexan-2-one?
The molecular formula of 5-(4-Methylphenyl)hexan-2-one is C13H18O.
What is the molecular weight of 5-(4-Methylphenyl)hexan-2-one?
The molecular weight of 5-(4-Methylphenyl)hexan-2-one is 190.14 g/mol.
Where can I buy 5-(4-Methylphenyl)hexan-2-one?
You can request a quote for 5-(4-Methylphenyl)hexan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methylphenyl)hexan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methylphenyl)hexan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.