5(4H)-Thebenidinone
TL;DR: 5(4H)-Thebenidinone (CAS 64884-40-8) is a chemical compound with molecular formula C15H9NO and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-benzo[lmn]phenanthridin-5-one
Also Known As: 5(4H)-Thebenidinone, 4-Azapyrene-5-ol, 5-hydroxy-4-azapyrene, EINECS 265-262-2, 4H-benzo[lmn]phenanthridin-5-one
| Molecular Formula | C15H9NO |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.06842 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 64884-40-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)NC4=CC=CC(=C43)C=C2 |
| InChIKey | DZFROCAXLIJHAR-UHFFFAOYSA-N |
Product Overview
5(4H)-Thebenidinone (CAS 64884-40-8), with molecular formula C15H9NO and molecular weight 219.07 g/mol. IUPAC: 4H-benzo[lmn]phenanthridin-5-one.
Chemical Property Profile of 5(4H)-Thebenidinone
Property Insights of 5(4H)-Thebenidinone
The XLogP value of 3.3 indicates that 5(4H)-Thebenidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 5(4H)-Thebenidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(4H)-Thebenidinone has 1 hydrogen bond donor(s) and 1 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(4H)-Thebenidinone?
The CAS number of 5(4H)-Thebenidinone is 64884-40-8.
What is the molecular formula of 5(4H)-Thebenidinone?
The molecular formula of 5(4H)-Thebenidinone is C15H9NO.
What is the molecular weight of 5(4H)-Thebenidinone?
The molecular weight of 5(4H)-Thebenidinone is 219.07 g/mol.
Where can I buy 5(4H)-Thebenidinone?
You can request a quote for 5(4H)-Thebenidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(4H)-Thebenidinone?
Yes, KEHONG BIO provides custom synthesis services for 5(4H)-Thebenidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.