5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one
TL;DR: 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one (CAS 81884-12-0) is a chemical compound with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-oxido-2-phenylindol-1-ium-3-one
Also Known As: 5-chloro-2-phenyl-3H-indol-3-one 1-oxide, NCI60_008254, 5-chloro-1-oxido-2-phenylindol-1-ium-3-one, 5-Chloro-3-oxo-2-phenyl-3H-indole 1-Oxide, 5-chloro-1-oxido-2-phenyl-indol-1-ium-3-one
| Molecular Formula | C14H8ClNO2 |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.02435 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 81884-12-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-] |
| InChIKey | QDQMICQBCNQCIY-UHFFFAOYSA-N |
Product Overview
5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one (CAS 81884-12-0), with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol. IUPAC: 5-chloro-1-oxido-2-phenylindol-1-ium-3-one.
Chemical Property Profile of 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one
Property Insights of 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one. With a topological polar surface area (TPSA) of 45.8 Ų, 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one has 0 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 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one?
The CAS number of 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one is 81884-12-0.
What is the molecular formula of 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one?
The molecular formula of 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one is C14H8ClNO2.
What is the molecular weight of 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one?
The molecular weight of 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one is 257.02 g/mol.
Where can I buy 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one?
You can request a quote for 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.