ChemDiv1_025578
TL;DR: ChemDiv1_025578 (CAS 311796-24-4) is a chemical compound with molecular formula C31H33N3O3 and molecular weight 495.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_025578, BAS 00652584, A1566/0068280, 2,2-dimethyl-5-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 2,2-DIMETHYL-5-[4-(4-METHYLPIPERIDIN-1-YL)-3-NITROPHENYL]-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONE
| Molecular Formula | C31H33N3O3 |
|---|---|
| Molecular Weight | 495.25 g/mol |
| LogP | 7.2938 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.2522 |
| Heavy Atoms | 37 |
| Complexity | 1463.7997 |
Chemical Identifiers
| CAS Number | 311796-24-4 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)C5=C(N3)C=CC6=CC=CC=C65)[N+](=O)[O-] |
Product Overview
ChemDiv1_025578 (CAS 311796-24-4), with molecular formula C31H33N3O3 and molecular weight 495.25 g/mol. IUPAC: 2,2-dimethyl-5-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_025578
Property Insights of ChemDiv1_025578
The XLogP value of 7.2938 indicates that ChemDiv1_025578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025578. Following Lipinski's Rule of Five, ChemDiv1_025578 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025578?
The CAS number of ChemDiv1_025578 is 311796-24-4.
What is the molecular formula of ChemDiv1_025578?
The molecular formula of ChemDiv1_025578 is C31H33N3O3.
What is the molecular weight of ChemDiv1_025578?
The molecular weight of ChemDiv1_025578 is 495.25 g/mol.
Where can I buy ChemDiv1_025578?
You can request a quote for ChemDiv1_025578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025578?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.