![2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- structure](/static/products/892/89229-80-1.png)
2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-
TL;DR: 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- (CAS 89229-80-1) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-5,5-dimethyl-2-nitrocyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-, 3-(benzylamino)-5,5-dimethyl-2-nitrocyclohex-2-en-1-one, AB00078113-01, AH-262/31996018, 3-(benzylamino)-2-nitro-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.6536 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 561.74115 |
Chemical Identifiers
| CAS Number | 89229-80-1 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)[N+](=O)[O-])NCC2=CC=CC=C2)C |
Product Overview
2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- (CAS 89229-80-1), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: 3-(benzylamino)-5,5-dimethyl-2-nitrocyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-
Property Insights of 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-
The XLogP value of 2.6536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- has 1 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 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-?
The CAS number of 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- is 89229-80-1.
What is the molecular formula of 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-?
The molecular formula of 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- is C15H18N2O3.
What is the molecular weight of 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-?
The molecular weight of 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- is 274.13 g/mol.
Where can I buy 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-?
You can request a quote for 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.