5-氰基吲哚
TL;DR: 5-氰基吲哚 (CAS 15861-24-2) is a chemical compound with molecular formula C9H6N2 and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氰基吲哚
1H-indole-5-carbonitrile
Also Known As: 5-Cyanoindole, 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, 5-Cyano indole, 5-Cyano-1H-indole
| Molecular Formula | C9H6N2 |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.0531 |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 15861-24-2 |
|---|---|
| SMILES | C1=CC2=C(C=CN2)C=C1C#N |
| InChIKey | YHYLDEVWYOFIJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氰基吲哚 (CAS 15861-24-2), with molecular formula C9H6N2 and molecular weight 142.05 g/mol. IUPAC: 1H-indole-5-carbonitrile.
Chemical Property Profile of 5-氰基吲哚
Property Insights of 5-氰基吲哚
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氰基吲哚. With a topological polar surface area (TPSA) of 39.6 Ų, 5-氰基吲哚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氰基吲哚 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 5-氰基吲哚?
The CAS number of 5-氰基吲哚 is 15861-24-2.
What is the molecular formula of 5-氰基吲哚?
The molecular formula of 5-氰基吲哚 is C9H6N2.
What is the molecular weight of 5-氰基吲哚?
The molecular weight of 5-氰基吲哚 is 142.05 g/mol.
Where can I buy 5-氰基吲哚?
You can request a quote for 5-氰基吲哚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氰基吲哚?
Yes, KEHONG BIO provides custom synthesis services for 5-氰基吲哚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.