ChemDiv1_028263
TL;DR: ChemDiv1_028263 (CAS 447433-73-0) is a chemical compound with molecular formula C13H16Cl3NO2 and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-4-one
Also Known As: ChemDiv1_028263, MixCom6_000455, 1-hydroxy-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one, 1-hydroxy-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-4-one, A2598/0110477
| Molecular Formula | C13H16Cl3NO2 |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.02466 |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 447433-73-0 |
|---|---|
| SMILES | CC1=C(C2=C(N1O)CC(CC2=O)(C)C)CC(Cl)(Cl)Cl |
| InChIKey | JUAZIIXNHHYISS-UHFFFAOYSA-N |
Product Overview
ChemDiv1_028263 (CAS 447433-73-0), with molecular formula C13H16Cl3NO2 and molecular weight 323.02 g/mol. IUPAC: 1-hydroxy-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-4-one.
Chemical Property Profile of ChemDiv1_028263
Property Insights of ChemDiv1_028263
The XLogP value of 4.2 indicates that ChemDiv1_028263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, ChemDiv1_028263 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028263 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028263?
The CAS number of ChemDiv1_028263 is 447433-73-0.
What is the molecular formula of ChemDiv1_028263?
The molecular formula of ChemDiv1_028263 is C13H16Cl3NO2.
What is the molecular weight of ChemDiv1_028263?
The molecular weight of ChemDiv1_028263 is 323.02 g/mol.
Where can I buy ChemDiv1_028263?
You can request a quote for ChemDiv1_028263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028263?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.