![3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 structure](/static/products/904/904-74-5.png)
3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5
TL;DR: 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 (CAS 904-74-5) is a chemical compound with molecular formula C20H32N2O2 and molecular weight 332.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5, 3,3'-[Butane-1,4-diylbis(azanediyl)]bis(5,5-dimethylcyclohex-2-en-1-one), 3-({4-[(5,5-dimethyl-3-oxocyclohex-1-enyl)amino]butyl}amino)-5,5-dimethylcyclohex-2-en-1-one, 3-({4-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]butyl}amino)-5,5-dimethylcyclohex-2-en-1-one, 3-({4-[(5,5-dimethyl-3-oxocyclohex-1-enyl)amino]butyl}amino)-5,5-dimethylcyclo hex-2-en-1-one
| Molecular Formula | C20H32N2O2 |
|---|---|
| Molecular Weight | 332.25 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.24637 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 904-74-5 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCCCNC2=CC(=O)CC(C2)(C)C)C |
| InChIKey | BVWGELIWLYXWQS-UHFFFAOYSA-N |
Product Overview
3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 (CAS 904-74-5), with molecular formula C20H32N2O2 and molecular weight 332.25 g/mol. IUPAC: 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5
Property Insights of 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5
The XLogP value of 3.3 indicates that 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 has 2 hydrogen bond donor(s) and 4 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-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5?
The CAS number of 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 is 904-74-5.
What is the molecular formula of 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5?
The molecular formula of 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 is C20H32N2O2.
What is the molecular weight of 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5?
The molecular weight of 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 is 332.25 g/mol.
Where can I buy 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5?
You can request a quote for 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.