![5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one structure](/static/products/3304/330472-32-7.webp)
5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
TL;DR: 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one (CAS 330472-32-7) is a chemical compound with molecular formula C25H22INO and molecular weight 479.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-iodophenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
Also Known As: 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one, BAS 00714160, 5-(2-iodophenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one, 8-(2-iodophenyl)-5,5-dimethyl-9-azatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),2(7),11,13(18),14,16-hexaen-3-one
| Molecular Formula | C25H22INO |
|---|---|
| Molecular Weight | 479.07 g/mol |
| LogP | 6.7539 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 479.07462 |
| Heavy Atoms | 28 |
| Complexity | 1158.1765 |
Chemical Identifiers
| CAS Number | 330472-32-7 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=CC=C5I)C |
Product Overview
5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one (CAS 330472-32-7), with molecular formula C25H22INO and molecular weight 479.07 g/mol. IUPAC: 5-(2-iodophenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one.
Chemical Property Profile of 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Property Insights of 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
The XLogP value of 6.7539 indicates that 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-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-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-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-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
The CAS number of 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one is 330472-32-7.
What is the molecular formula of 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
The molecular formula of 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one is C25H22INO.
What is the molecular weight of 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
The molecular weight of 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one is 479.07 g/mol.
Where can I buy 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
You can request a quote for 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-iodophenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.