![3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline structure](/static/products/515/51590-74-0.png)
3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline
TL;DR: 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline (CAS 51590-74-0) is a chemical compound with molecular formula C16H16Cl3N and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-imine
Also Known As: AB01321245-02, 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline, 3,4-dimethyl-N-(4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene)aniline, N-(3,4-dimethylphenyl)-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-imine
| Molecular Formula | C16H16Cl3N |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.03482 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 51590-74-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C2C=CC(C=C2)(C)C(Cl)(Cl)Cl)C |
| InChIKey | DZLQEGDECGAHQG-UHFFFAOYSA-N |
Product Overview
3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline (CAS 51590-74-0), with molecular formula C16H16Cl3N and molecular weight 327.03 g/mol. IUPAC: N-(3,4-dimethylphenyl)-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-imine.
Chemical Property Profile of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline
Property Insights of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline
The XLogP value of 5.9 indicates that 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline?
The CAS number of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline is 51590-74-0.
What is the molecular formula of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline?
The molecular formula of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline is C16H16Cl3N.
What is the molecular weight of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline?
The molecular weight of 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline is 327.03 g/mol.
Where can I buy 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline?
You can request a quote for 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.