3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one (CAS 332898-13-2) is a chemical compound with molecular formula C14H21N3O and molecular weight 247.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: ChemDiv3_001719, BAS 01174130, IDI1_020685, BRD-K35019545-001-01-4, 3-(3-imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C14H21N3O |
|---|---|
| Molecular Weight | 247.17 g/mol |
| LogP | 2.1358 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.16846 |
| Heavy Atoms | 18 |
| Complexity | 431.9014 |
Chemical Identifiers
| CAS Number | 332898-13-2 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCCN2C=CN=C2)C |
Product Overview
3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one (CAS 332898-13-2), with molecular formula C14H21N3O and molecular weight 247.17 g/mol. IUPAC: 3-(3-imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 2.1358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 46.92 Ų, 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one 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 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one is 332898-13-2.
What is the molecular formula of 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one is C14H21N3O.
What is the molecular weight of 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one is 247.17 g/mol.
Where can I buy 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Imidazol-1-ylpropylamino)-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.