![5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one structure](/static/products/2471/247138-49-4.webp)
5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
TL;DR: 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CAS 247138-49-4) is a chemical compound with molecular formula C24H19NO3 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
Also Known As: BAS 00432204, NCI60_035260, BIM-0014081.P001, 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one, 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C24H19NO3 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.1365 |
| Heavy Atoms | 28 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 247138-49-4 |
|---|---|
| SMILES | C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5)OCO6)C(=O)C1 |
| InChIKey | KXLPRLARGJJIRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CAS 247138-49-4), with molecular formula C24H19NO3 and molecular weight 369.14 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one.
Chemical Property Profile of 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Property Insights of 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
The XLogP value of 4.4 indicates that 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one 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 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The CAS number of 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is 247138-49-4.
What is the molecular formula of 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The molecular formula of 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is C24H19NO3.
What is the molecular weight of 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The molecular weight of 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is 369.14 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
You can request a quote for 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.