2-Methylamino-5-nitrobenzophenone
TL;DR: 2-Methylamino-5-nitrobenzophenone (CAS 4958-56-9) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylamino)-5-nitrophenyl]-phenylmethanone
Also Known As: 2-Methylamino-5-nitrobenzophenone, 1,5-diphenyltriazole, Clormadinone acetate, 2-(Methylamino)-5-nitrobenzophenone, KST-1A5227
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 4958-56-9 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2 |
| InChIKey | KIWZKBUUWJTGPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylamino-5-nitrobenzophenone (CAS 4958-56-9), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: [2-(methylamino)-5-nitrophenyl]-phenylmethanone.
Chemical Property Profile of 2-Methylamino-5-nitrobenzophenone
Property Insights of 2-Methylamino-5-nitrobenzophenone
The XLogP value of 3.6 indicates that 2-Methylamino-5-nitrobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylamino-5-nitrobenzophenone. Following Lipinski's Rule of Five, 2-Methylamino-5-nitrobenzophenone 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-Methylamino-5-nitrobenzophenone?
The CAS number of 2-Methylamino-5-nitrobenzophenone is 4958-56-9.
What is the molecular formula of 2-Methylamino-5-nitrobenzophenone?
The molecular formula of 2-Methylamino-5-nitrobenzophenone is C14H12N2O3.
What is the molecular weight of 2-Methylamino-5-nitrobenzophenone?
The molecular weight of 2-Methylamino-5-nitrobenzophenone is 256.08 g/mol.
Where can I buy 2-Methylamino-5-nitrobenzophenone?
You can request a quote for 2-Methylamino-5-nitrobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylamino-5-nitrobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylamino-5-nitrobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.