4'-Methylvalerophenone
TL;DR: 4'-Methylvalerophenone (CAS 1671-77-8) 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-methylphenyl)pentan-1-one
Also Known As: 4'-Methylvalerophenone, 1-(p-tolyl)pentan-1-one, 1-(4-Methylphenyl)-1-pentanone, 1-(4-methylphenyl)pentan-1-one, 4-Methyl-1-pentanoylbenzene
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 1671-77-8 |
|---|---|
| SMILES | CCCCC(=O)C1=CC=C(C=C1)C |
| InChIKey | BCVCZJADTSTKNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Methylvalerophenone (CAS 1671-77-8), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-(4-methylphenyl)pentan-1-one.
Chemical Property Profile of 4'-Methylvalerophenone
Property Insights of 4'-Methylvalerophenone
The XLogP value of 3.3 indicates that 4'-Methylvalerophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-Methylvalerophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methylvalerophenone 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 4'-Methylvalerophenone?
The CAS number of 4'-Methylvalerophenone is 1671-77-8.
What is the molecular formula of 4'-Methylvalerophenone?
The molecular formula of 4'-Methylvalerophenone is C12H16O.
What is the molecular weight of 4'-Methylvalerophenone?
The molecular weight of 4'-Methylvalerophenone is 176.12 g/mol.
Where can I buy 4'-Methylvalerophenone?
You can request a quote for 4'-Methylvalerophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylvalerophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylvalerophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.