ChemDiv1_019828
TL;DR: ChemDiv1_019828 (CAS 296791-76-9) is a chemical compound with molecular formula C26H24BrNO3 and molecular weight 477.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_019828, BAS 00457655, AE-641/09779060, A1812/0076621, 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C26H24BrNO3 |
|---|---|
| Molecular Weight | 477.09 g/mol |
| LogP | 6.626 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 477.09396 |
| Heavy Atoms | 31 |
| Complexity | 1275.1273 |
Chemical Identifiers
| CAS Number | 296791-76-9 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)Br)O)OC)C(=O)C1)C |
Product Overview
ChemDiv1_019828 (CAS 296791-76-9), with molecular formula C26H24BrNO3 and molecular weight 477.09 g/mol. IUPAC: 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_019828
Property Insights of ChemDiv1_019828
The XLogP value of 6.626 indicates that ChemDiv1_019828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, ChemDiv1_019828 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_019828 has 2 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 ChemDiv1_019828?
The CAS number of ChemDiv1_019828 is 296791-76-9.
What is the molecular formula of ChemDiv1_019828?
The molecular formula of ChemDiv1_019828 is C26H24BrNO3.
What is the molecular weight of ChemDiv1_019828?
The molecular weight of ChemDiv1_019828 is 477.09 g/mol.
Where can I buy ChemDiv1_019828?
You can request a quote for ChemDiv1_019828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019828?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.