4,5-Dichloro-1-aminioindan
TL;DR: 4,5-Dichloro-1-aminioindan (CAS 6821-87-0) is a chemical compound with molecular formula C9H9Cl2N and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2,3-dihydro-1H-inden-1-amine
Also Known As: 4,5-dichloro-2,3-dihydro-1H-inden-1-amine, 4,5-Dichloro-1-aminioindan, 4,5-dichloroindan-1-amine, 4,5-DICHLORO-INDAN-1-YLAMINE, (1S)-4,5-DICHLOROINDANYLAMINE
| Molecular Formula | C9H9Cl2N |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.0112 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 6821-87-0 |
|---|---|
| SMILES | C1CC2=C(C1N)C=CC(=C2Cl)Cl |
| InChIKey | XERJYFHLXFCWRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-1-aminioindan (CAS 6821-87-0), with molecular formula C9H9Cl2N and molecular weight 201.01 g/mol. IUPAC: 4,5-dichloro-2,3-dihydro-1H-inden-1-amine.
Chemical Property Profile of 4,5-Dichloro-1-aminioindan
Property Insights of 4,5-Dichloro-1-aminioindan
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichloro-1-aminioindan. With a topological polar surface area (TPSA) of 26.0 Ų, 4,5-Dichloro-1-aminioindan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-1-aminioindan has 1 hydrogen bond donor(s) and 1 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 4,5-Dichloro-1-aminioindan?
The CAS number of 4,5-Dichloro-1-aminioindan is 6821-87-0.
What is the molecular formula of 4,5-Dichloro-1-aminioindan?
The molecular formula of 4,5-Dichloro-1-aminioindan is C9H9Cl2N.
What is the molecular weight of 4,5-Dichloro-1-aminioindan?
The molecular weight of 4,5-Dichloro-1-aminioindan is 201.01 g/mol.
Where can I buy 4,5-Dichloro-1-aminioindan?
You can request a quote for 4,5-Dichloro-1-aminioindan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-1-aminioindan?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-1-aminioindan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.