BAS 00780448
TL;DR: BAS 00780448 (CAS 333344-49-3) is a chemical compound with molecular formula C26H23NO3 and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
Also Known As: BAS 00780448, 5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one, AE-848/11736640, 5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one, 5-(2H-1,3-BENZODIOXOL-5-YL)-3,3-DIMETHYL-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-1-ONE
| Molecular Formula | C26H23NO3 |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 5.878 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.1678 |
| Heavy Atoms | 30 |
| Complexity | 1254.3684 |
Chemical Identifiers
| CAS Number | 333344-49-3 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC6=C(C=C5)OCO6)C |
Product Overview
BAS 00780448 (CAS 333344-49-3), with molecular formula C26H23NO3 and molecular weight 397.17 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one.
Chemical Property Profile of BAS 00780448
Property Insights of BAS 00780448
The XLogP value of 5.878 indicates that BAS 00780448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, BAS 00780448 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00780448 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 BAS 00780448?
The CAS number of BAS 00780448 is 333344-49-3.
What is the molecular formula of BAS 00780448?
The molecular formula of BAS 00780448 is C26H23NO3.
What is the molecular weight of BAS 00780448?
The molecular weight of BAS 00780448 is 397.17 g/mol.
Where can I buy BAS 00780448?
You can request a quote for BAS 00780448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780448?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.