N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene
TL;DR: N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene (CAS 7498-74-0) is a chemical compound with molecular formula C14H11Cl3N4O4 and molecular weight 403.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]amino]-2,4-dinitroaniline
Also Known As: N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene, N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]amino]-2,4-dinitroaniline, 1-(2,4-Dinitrophenyl)-2-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]hydrazine, N-[[4-METHYL-4-(TRICHLOROMETHYL)-1-CYCLOHEXA-2,5-DIENYLIDENE]AMINO]-2,4-DINITRO-ANILINE
| Molecular Formula | C14H11Cl3N4O4 |
|---|---|
| Molecular Weight | 403.98 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.9846 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 7498-74-0 |
|---|---|
| SMILES | CC1(C=CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=C1)C(Cl)(Cl)Cl |
| InChIKey | WNGGGZOYKCTUBC-UHFFFAOYSA-N |
Product Overview
N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene (CAS 7498-74-0), with molecular formula C14H11Cl3N4O4 and molecular weight 403.98 g/mol. IUPAC: N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]amino]-2,4-dinitroaniline.
Chemical Property Profile of N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene
Property Insights of N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene
The XLogP value of 4.4 indicates that N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene. Following Lipinski's Rule of Five, N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene has 1 hydrogen bond donor(s) and 6 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-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene?
The CAS number of N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene is 7498-74-0.
What is the molecular formula of N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene?
The molecular formula of N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene is C14H11Cl3N4O4.
What is the molecular weight of N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene?
The molecular weight of N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene is 403.98 g/mol.
Where can I buy N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene?
You can request a quote for N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.