ChemDiv1_028309
TL;DR: ChemDiv1_028309 (CAS 426823-92-9) is a chemical compound with molecular formula C19H19BrCl3NO and molecular weight 460.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-4-one
Also Known As: ChemDiv1_028309, MixCom6_000501, 1-(4-bromophenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-4-one, A2598/0110487, 1-(4-bromophenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
| Molecular Formula | C19H19BrCl3NO |
|---|---|
| Molecular Weight | 460.97 g/mol |
| LogP | 6.61602 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.97156 |
| Heavy Atoms | 25 |
| Complexity | 831.8346 |
Chemical Identifiers
| CAS Number | 426823-92-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1C3=CC=C(C=C3)Br)CC(CC2=O)(C)C)CC(Cl)(Cl)Cl |
Product Overview
ChemDiv1_028309 (CAS 426823-92-9), with molecular formula C19H19BrCl3NO and molecular weight 460.97 g/mol. IUPAC: 1-(4-bromophenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-4-one.
Chemical Property Profile of ChemDiv1_028309
Property Insights of ChemDiv1_028309
The XLogP value of 6.61602 indicates that ChemDiv1_028309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, ChemDiv1_028309 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028309 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028309?
The CAS number of ChemDiv1_028309 is 426823-92-9.
What is the molecular formula of ChemDiv1_028309?
The molecular formula of ChemDiv1_028309 is C19H19BrCl3NO.
What is the molecular weight of ChemDiv1_028309?
The molecular weight of ChemDiv1_028309 is 460.97 g/mol.
Where can I buy ChemDiv1_028309?
You can request a quote for ChemDiv1_028309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028309?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.