![3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one structure](/static/products/7613/76132-33-7.webp)
3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
TL;DR: 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one (CAS 76132-33-7) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-amino-3-pyridinyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-[(2-aminopyridin-3-yl)amino]-5,5-dimethylcyclohex-2-en-1-one, 3-[(2-amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one, 3-((2-AMINO(3-PYRIDYL))AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 3-(2-amino-3-pyridyl)amino-5,5-dimethylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-[(2-amino-3-pyridinyl)amino]-5,5-dimethyl-
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 2.3487 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 477.30786 |
Chemical Identifiers
| CAS Number | 76132-33-7 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=C(N=CC=C2)N)C |
Product Overview
3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one (CAS 76132-33-7), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 3-[(2-amino-3-pyridinyl)amino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
Property Insights of 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
The XLogP value of 2.3487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one. Following Lipinski's Rule of Five, 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one 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-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one?
The CAS number of 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one is 76132-33-7.
What is the molecular formula of 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one?
The molecular formula of 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one is C13H17N3O.
What is the molecular weight of 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one?
The molecular weight of 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one is 231.14 g/mol.
Where can I buy 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one?
You can request a quote for 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-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-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Amino-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.