1H-茚-3-乙腈
TL;DR: 1H-茚-3-乙腈 (CAS 10381-08-5) is a chemical compound with molecular formula C11H9N and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-茚-3-乙腈
2-(3H-inden-1-yl)acetonitrile
Also Known As: 3-cyanomethylindene, Indole-3-acetonitrile, 1H-Indene-3-acetonitrile, 3H-Indene-1-acetonitrile, 1H-inden-3-ylacetonitrile
| Molecular Formula | C11H9N |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0735 |
| Heavy Atoms | 12 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 10381-08-5 |
|---|---|
| SMILES | C1C=C(C2=CC=CC=C21)CC#N |
| InChIKey | XKRYOUCCZJSMIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-茚-3-乙腈 (CAS 10381-08-5), with molecular formula C11H9N and molecular weight 155.07 g/mol. IUPAC: 2-(3H-inden-1-yl)acetonitrile.
Chemical Property Profile of 1H-茚-3-乙腈
Property Insights of 1H-茚-3-乙腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-茚-3-乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 1H-茚-3-乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-茚-3-乙腈 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 1H-茚-3-乙腈?
The CAS number of 1H-茚-3-乙腈 is 10381-08-5.
What is the molecular formula of 1H-茚-3-乙腈?
The molecular formula of 1H-茚-3-乙腈 is C11H9N.
What is the molecular weight of 1H-茚-3-乙腈?
The molecular weight of 1H-茚-3-乙腈 is 155.07 g/mol.
Where can I buy 1H-茚-3-乙腈?
You can request a quote for 1H-茚-3-乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-茚-3-乙腈?
Yes, KEHONG BIO provides custom synthesis services for 1H-茚-3-乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.