1-(2-Isocyanoethyl)-2,3-dihydroindole
TL;DR: 1-(2-Isocyanoethyl)-2,3-dihydroindole (CAS 832113-75-4) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-isocyanoethyl)-2,3-dihydroindole
Also Known As: 1-(2-Isocyanoethyl)indoline, 1-(2-isocyanoethyl)-2,3-dihydroindole, 1-(2-isocyanoethyl)-2,3-dihydro-1H-indole, N-2-Isocyanoethyl-2,3-dihydroindole
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 1.96839 |
| Topological Polar Surface Area | 7.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 338.18866 |
Chemical Identifiers
| CAS Number | 832113-75-4 |
|---|---|
| SMILES | [C-]#[N+]CCN1CCC2=CC=CC=C21 |
Product Overview
1-(2-Isocyanoethyl)-2,3-dihydroindole (CAS 832113-75-4), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 1-(2-isocyanoethyl)-2,3-dihydroindole.
Chemical Property Profile of 1-(2-Isocyanoethyl)-2,3-dihydroindole
Property Insights of 1-(2-Isocyanoethyl)-2,3-dihydroindole
The XLogP value of 1.96839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Isocyanoethyl)-2,3-dihydroindole. With a topological polar surface area (TPSA) of 7.6 Ų, 1-(2-Isocyanoethyl)-2,3-dihydroindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Isocyanoethyl)-2,3-dihydroindole has 0 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 1-(2-Isocyanoethyl)-2,3-dihydroindole?
The CAS number of 1-(2-Isocyanoethyl)-2,3-dihydroindole is 832113-75-4.
What is the molecular formula of 1-(2-Isocyanoethyl)-2,3-dihydroindole?
The molecular formula of 1-(2-Isocyanoethyl)-2,3-dihydroindole is C11H12N2.
What is the molecular weight of 1-(2-Isocyanoethyl)-2,3-dihydroindole?
The molecular weight of 1-(2-Isocyanoethyl)-2,3-dihydroindole is 172.10 g/mol.
Where can I buy 1-(2-Isocyanoethyl)-2,3-dihydroindole?
You can request a quote for 1-(2-Isocyanoethyl)-2,3-dihydroindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Isocyanoethyl)-2,3-dihydroindole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Isocyanoethyl)-2,3-dihydroindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.