2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride
TL;DR: 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride (CAS 146341-50-6) is a chemical compound with molecular formula C17H21ClN2O and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-3,5-dimethylbenzonitrile;hydrochloride
Also Known As: 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride, 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-3,5-dimethylbenzonitrile hydrochloride
| Molecular Formula | C17H21ClN2O |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 4.28182 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.13425 |
| Heavy Atoms | 21 |
| Complexity | 638.9256 |
Chemical Identifiers
| CAS Number | 146341-50-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C#N)NC2=CC(=O)CC(C2)(C)C)C.Cl |
Product Overview
2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride (CAS 146341-50-6), with molecular formula C17H21ClN2O and molecular weight 304.13 g/mol. IUPAC: 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-3,5-dimethylbenzonitrile;hydrochloride.
Chemical Property Profile of 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride
Property Insights of 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride
The XLogP value of 4.28182 indicates that 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride has 1 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-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride?
The CAS number of 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride is 146341-50-6.
What is the molecular formula of 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride?
The molecular formula of 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride is C17H21ClN2O.
What is the molecular weight of 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride?
The molecular weight of 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride is 304.13 g/mol.
Where can I buy 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride?
You can request a quote for 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)-3,5-dimethylbenzonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.