![5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one structure](/static/products/3304/330472-34-9.webp)
5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
TL;DR: 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one (CAS 330472-34-9) is a chemical compound with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-5-(2-nitrophenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
Also Known As: 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one, 3,3-dimethyl-5-(2-nitrophenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
| Molecular Formula | C25H22N2O3 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 6.0575 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.16306 |
| Heavy Atoms | 30 |
| Complexity | 1256.2384 |
Chemical Identifiers
| CAS Number | 330472-34-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=CC=C5[N+](=O)[O-])C |
Product Overview
5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one (CAS 330472-34-9), with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol. IUPAC: 3,3-dimethyl-5-(2-nitrophenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one.
Chemical Property Profile of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Property Insights of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
The XLogP value of 6.0575 indicates that 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one. Following Lipinski's Rule of Five, 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
The CAS number of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one is 330472-34-9.
What is the molecular formula of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
The molecular formula of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one is C25H22N2O3.
What is the molecular weight of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
The molecular weight of 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one is 398.16 g/mol.
Where can I buy 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
You can request a quote for 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{2-nitrophenyl}-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.