2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide
TL;DR: 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide (CAS 429620-51-9) is a chemical compound with molecular formula C19H26N2OS and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-(2-methylpropylamino)-6-oxo-N-phenylcyclohexene-1-carbothioamide
Also Known As: AJ-292/40706501, 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide, 4,4-dimethyl-2-(2-methylpropylamino)-6-oxo-N-phenylcyclohexene-1-carbothioamide, 4,4-dimethyl-2-[(2-methylpropyl)amino]-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide, 5,5-dimethyl-3-[(2-methylpropyl)amino]-2-[(phenylamino)thioxomethyl]cyclohex-2 -en-1-one
| Molecular Formula | C19H26N2OS |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.17657 |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 429620-51-9 |
|---|---|
| SMILES | CC(C)CNC1=C(C(=O)CC(C1)(C)C)C(=S)NC2=CC=CC=C2 |
| InChIKey | ZLCGMHFAURPKSR-UHFFFAOYSA-N |
Product Overview
2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide (CAS 429620-51-9), with molecular formula C19H26N2OS and molecular weight 330.18 g/mol. IUPAC: 4,4-dimethyl-2-(2-methylpropylamino)-6-oxo-N-phenylcyclohexene-1-carbothioamide.
Chemical Property Profile of 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide
Property Insights of 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide
The XLogP value of 4.4 indicates that 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide. Following Lipinski's Rule of Five, 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide has 2 hydrogen bond donor(s) and 3 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 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide?
The CAS number of 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide is 429620-51-9.
What is the molecular formula of 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide?
The molecular formula of 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide is C19H26N2OS.
What is the molecular weight of 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide?
The molecular weight of 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide is 330.18 g/mol.
Where can I buy 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide?
You can request a quote for 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(isobutylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.