N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide
TL;DR: N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide (CAS 523990-86-5) is a chemical compound with molecular formula C25H37N3O2S and molecular weight 443.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide
Also Known As: N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide, N-(4-butylphenyl)-4,4-dimethyl-2-{[2-(morpholin-4-yl)ethyl]amino}-6-oxocyclohex-1-ene-1-carbothioamide, 2-{[(4-butylphenyl)amino]thioxomethyl}-5,5-dimethyl-3-[(2-morpholin-4-ylethyl) amino]cyclohex-2-en-1-one, N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxo-cyclohexene-1-carbothioamide
| Molecular Formula | C25H37N3O2S |
|---|---|
| Molecular Weight | 443.26 g/mol |
| LogP | 4.3335 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.26065 |
| Heavy Atoms | 31 |
| Complexity | 795.49005 |
Chemical Identifiers
| CAS Number | 523990-86-5 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCN3CCOCC3 |
Product Overview
N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide (CAS 523990-86-5), with molecular formula C25H37N3O2S and molecular weight 443.26 g/mol. IUPAC: N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide.
Chemical Property Profile of N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide
Property Insights of N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide
The XLogP value of 4.3335 indicates that N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide has 2 hydrogen bond donor(s) and 5 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-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide?
The CAS number of N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide is 523990-86-5.
What is the molecular formula of N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide?
The molecular formula of N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide is C25H37N3O2S.
What is the molecular weight of N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide?
The molecular weight of N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide is 443.26 g/mol.
Where can I buy N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide?
You can request a quote for N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.