3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one (CAS 149774-57-2) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: BIM-0041981.P001, 3-(2-amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one, 3-[(2-amino-5-nitrophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 2.8619 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 605.68176 |
Chemical Identifiers
| CAS Number | 149774-57-2 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=C(C=CC(=C2)[N+](=O)[O-])N)C |
Product Overview
3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one (CAS 149774-57-2), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: 3-(2-amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 2.8619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one. Following Lipinski's Rule of Five, 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one has 2 hydrogen bond donor(s) and 5 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-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one is 149774-57-2.
What is the molecular formula of 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one is C14H17N3O3.
What is the molecular weight of 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one is 275.13 g/mol.
Where can I buy 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-(2-Amino-5-nitroanilino)-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-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.