![5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one structure](/static/products/2294/22949-39-9.webp)
5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
TL;DR: 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CAS 22949-39-9) is a chemical compound with molecular formula C25H22BrNO and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: BAS 00331450, A1562/0068047, 5-(3-bromophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 5-(3-bromophenyl)-2,2-dimethyl-1,2,3,5,6-pentahydrobenzo[a]phenanthridin-4-one
| Molecular Formula | C25H22BrNO |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 431.08847 |
| Heavy Atoms | 28 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 22949-39-9 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)Br)C(=O)C1)C |
| InChIKey | DSQADTIMDSAVQD-UHFFFAOYSA-N |
Product Overview
5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CAS 22949-39-9), with molecular formula C25H22BrNO and molecular weight 431.09 g/mol. IUPAC: 5-(3-bromophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Property Insights of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
The XLogP value of 6.1 indicates that 5-(3-Bromophenyl)-2,2-dimethyl-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 29.1 Ų, 5-(3-Bromophenyl)-2,2-dimethyl-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-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The CAS number of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is 22949-39-9.
What is the molecular formula of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The molecular formula of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is C25H22BrNO.
What is the molecular weight of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The molecular weight of 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is 431.09 g/mol.
Where can I buy 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
You can request a quote for 5-(3-Bromophenyl)-2,2-dimethyl-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-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.