5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium
TL;DR: 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium (CAS 727349-80-6) is a chemical compound with molecular formula C10H13ClN+ and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,1-dimethyl-2,3-dihydroindol-1-ium
Also Known As: 5-chloro-1,1-dimethyl-2,3-dihydroindole, 5-chloro-1,1-dimethyl-2,3-dihydro-1h-indolium, 5-chloro-1,1-dimethyl-2,3-dihydroindol-1-ium, 1,1-Dimethyl-5-chloro-2,3-dihydro-1H-indolium, 1h-indolium,5-chloro-2,3-dihydro-1,1-dimethyl-
| Molecular Formula | C10H13ClN+ |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.07365 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 727349-80-6 |
|---|---|
| SMILES | C[N+]1(CCC2=C1C=CC(=C2)Cl)C |
| InChIKey | VTUMCCLYTIJGHE-UHFFFAOYSA-N |
Product Overview
5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium (CAS 727349-80-6), with molecular formula C10H13ClN+ and molecular weight 182.07 g/mol. IUPAC: 5-chloro-1,1-dimethyl-2,3-dihydroindol-1-ium.
Chemical Property Profile of 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium
Property Insights of 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium has 0 hydrogen bond donor(s) and 0 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-1,1-dimethyl-2,3-dihydroindol-1-ium?
The CAS number of 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium is 727349-80-6.
What is the molecular formula of 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium?
The molecular formula of 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium is C10H13ClN+.
What is the molecular weight of 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium?
The molecular weight of 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium is 182.07 g/mol.
Where can I buy 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium?
You can request a quote for 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,1-dimethyl-2,3-dihydroindol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.