BAS 00281608
TL;DR: BAS 00281608 (CAS 180984-66-1) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxy-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: BAS 00281608, 5-(2-hydroxy-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-{2-hydroxy-3-nitrophenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 5.7631 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1306.1199 |
Chemical Identifiers
| CAS Number | 180984-66-1 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C(=CC=C5)[N+](=O)[O-])O)C(=O)C1)C |
Product Overview
BAS 00281608 (CAS 180984-66-1), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 5-(2-hydroxy-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of BAS 00281608
Property Insights of BAS 00281608
The XLogP value of 5.7631 indicates that BAS 00281608 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00281608. Following Lipinski's Rule of Five, BAS 00281608 has 2 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 BAS 00281608?
The CAS number of BAS 00281608 is 180984-66-1.
What is the molecular formula of BAS 00281608?
The molecular formula of BAS 00281608 is C25H22N2O4.
What is the molecular weight of BAS 00281608?
The molecular weight of BAS 00281608 is 414.16 g/mol.
Where can I buy BAS 00281608?
You can request a quote for BAS 00281608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00281608?
Yes, KEHONG BIO provides custom synthesis services for BAS 00281608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.