N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline
TL;DR: N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline (CAS 88125-29-5) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-(2-methylphenyl)iminopentan-3-one
Also Known As: N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline, 3-Pentanone, 4,4-dimethyl-1-[(2-methylphenyl)imino]-, 4,4-dimethyl-1-(2-methylphenyl)iminopentan-3-one, (1E)-4,4-Dimethyl-1-[(2-methylphenyl)imino]pentan-3-one, (1E)-4,4-Dimethyl-1-[(2-methylphenyl)imino]-3-pentanone #
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 88125-29-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N=CCC(=O)C(C)(C)C |
| InChIKey | QMSKBFPNEDJQNV-UHFFFAOYSA-N |
Product Overview
N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline (CAS 88125-29-5), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 4,4-dimethyl-1-(2-methylphenyl)iminopentan-3-one.
Chemical Property Profile of N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline
Property Insights of N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline
The XLogP value of 3.2 indicates that N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4,4-Dimethyl-3-oxopentylidene)-2-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-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline?
The CAS number of N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline is 88125-29-5.
What is the molecular formula of N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline?
The molecular formula of N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline is C14H19NO.
What is the molecular weight of N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline?
The molecular weight of N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline is 217.15 g/mol.
Where can I buy N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline?
You can request a quote for N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4,4-Dimethyl-3-oxopentylidene)-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.