![5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one structure](/static/products/3280/328084-59-9.webp)
5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one
TL;DR: 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one (CAS 328084-59-9) is a chemical compound with molecular formula C13H17NOS and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one
Also Known As: BAS 01174094, 5,5-dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one, 5,5-dimethyl-3-[(2-thienylmethyl)amino]cyclohex-2-en-1-one, 5,5-dimethyl-3-((thiophen-2-ylmethyl)amino)cyclohex-2-enone, 5,5-dimethyl-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one
| Molecular Formula | C13H17NOS |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.1107 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.10309 |
| Heavy Atoms | 16 |
| Complexity | 403.5769 |
Chemical Identifiers
| CAS Number | 328084-59-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCC2=CC=CS2)C |
Product Overview
5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one (CAS 328084-59-9), with molecular formula C13H17NOS and molecular weight 235.10 g/mol. IUPAC: 5,5-dimethyl-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one
Property Insights of 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one
The XLogP value of 3.1107 indicates that 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-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 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one?
The CAS number of 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one is 328084-59-9.
What is the molecular formula of 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one?
The molecular formula of 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one is C13H17NOS.
What is the molecular weight of 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one?
The molecular weight of 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one is 235.10 g/mol.
Where can I buy 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one?
You can request a quote for 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-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 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-[(thiophen-2-ylmethyl)amino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.