3'-Amino-4'-methyl-2'-nitroacetophenone
TL;DR: 3'-Amino-4'-methyl-2'-nitroacetophenone (CAS 195046-31-2) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-4-methyl-2-nitrophenyl)ethanone
Also Known As: 1-(3-amino-4-methyl-2-nitrophenyl)ethanone, 1-(3-amino-4-methyl-2-nitro-phenyl)ethanone, 1-(3-amino-4-methyl-2-nitrophenyl)ethan-1-one, 3'-AMINO-4'-METHYL-2'-NITROACETOPHENONE
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.68802 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 412.76324 |
Chemical Identifiers
| CAS Number | 195046-31-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)C)[N+](=O)[O-])N |
Product Overview
3'-Amino-4'-methyl-2'-nitroacetophenone (CAS 195046-31-2), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 1-(3-amino-4-methyl-2-nitrophenyl)ethanone.
Chemical Property Profile of 3'-Amino-4'-methyl-2'-nitroacetophenone
Property Insights of 3'-Amino-4'-methyl-2'-nitroacetophenone
The XLogP value of 1.68802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Amino-4'-methyl-2'-nitroacetophenone. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Amino-4'-methyl-2'-nitroacetophenone. Following Lipinski's Rule of Five, 3'-Amino-4'-methyl-2'-nitroacetophenone 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 3'-Amino-4'-methyl-2'-nitroacetophenone?
The CAS number of 3'-Amino-4'-methyl-2'-nitroacetophenone is 195046-31-2.
What is the molecular formula of 3'-Amino-4'-methyl-2'-nitroacetophenone?
The molecular formula of 3'-Amino-4'-methyl-2'-nitroacetophenone is C9H10N2O3.
What is the molecular weight of 3'-Amino-4'-methyl-2'-nitroacetophenone?
The molecular weight of 3'-Amino-4'-methyl-2'-nitroacetophenone is 194.07 g/mol.
Where can I buy 3'-Amino-4'-methyl-2'-nitroacetophenone?
You can request a quote for 3'-Amino-4'-methyl-2'-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Amino-4'-methyl-2'-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Amino-4'-methyl-2'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.