N-(1-Methyl-3-oxobutylidene)-4-methylaniline
TL;DR: N-(1-Methyl-3-oxobutylidene)-4-methylaniline (CAS 3145-83-3) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)iminopentan-2-one
Also Known As: 4-(4-methylphenyl)iminopentan-2-one, 4-[(4-methylphenyl)imino]pentan-2-one, 4-(PARA-TOLYLIMINO)-2-PENTANONE, (4e)-4-[(4-methylphenyl)imino]pentan-2-one, (4Z)-4-[(4-Methylphenyl)imino]-2-pentanone
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 3145-83-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=C(C)CC(=O)C |
| InChIKey | GNNABOZHZDZBOI-UHFFFAOYSA-N |
Product Overview
N-(1-Methyl-3-oxobutylidene)-4-methylaniline (CAS 3145-83-3), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 4-(4-methylphenyl)iminopentan-2-one.
Chemical Property Profile of N-(1-Methyl-3-oxobutylidene)-4-methylaniline
Property Insights of N-(1-Methyl-3-oxobutylidene)-4-methylaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-3-oxobutylidene)-4-methylaniline. With a topological polar surface area (TPSA) of 29.4 Ų, N-(1-Methyl-3-oxobutylidene)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Methyl-3-oxobutylidene)-4-methylaniline has 0 hydrogen bond donor(s) and 2 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 N-(1-Methyl-3-oxobutylidene)-4-methylaniline?
The CAS number of N-(1-Methyl-3-oxobutylidene)-4-methylaniline is 3145-83-3.
What is the molecular formula of N-(1-Methyl-3-oxobutylidene)-4-methylaniline?
The molecular formula of N-(1-Methyl-3-oxobutylidene)-4-methylaniline is C12H15NO.
What is the molecular weight of N-(1-Methyl-3-oxobutylidene)-4-methylaniline?
The molecular weight of N-(1-Methyl-3-oxobutylidene)-4-methylaniline is 189.12 g/mol.
Where can I buy N-(1-Methyl-3-oxobutylidene)-4-methylaniline?
You can request a quote for N-(1-Methyl-3-oxobutylidene)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methyl-3-oxobutylidene)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methyl-3-oxobutylidene)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.