5-methoxy-1H-indole-3-carbonitrile
TL;DR: 5-methoxy-1H-indole-3-carbonitrile (CAS 21987-25-7) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1H-indole-3-carbonitrile
Also Known As: 5-methoxy-1H-indole-3-carbonitrile, 3-Cyano-5-methoxyindole, 1H-Indole-3-carbonitrile, 5-methoxy-, 5-methoxyindole-3-carbonitrile, 3-Cyano-5-methoxy-indol
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 2.04818 |
| Topological Polar Surface Area | 48.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 479.12067 |
Chemical Identifiers
| CAS Number | 21987-25-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2C#N |
Product Overview
5-methoxy-1H-indole-3-carbonitrile (CAS 21987-25-7), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 5-methoxy-1H-indole-3-carbonitrile.
Chemical Property Profile of 5-methoxy-1H-indole-3-carbonitrile
Property Insights of 5-methoxy-1H-indole-3-carbonitrile
The XLogP value of 2.04818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-1H-indole-3-carbonitrile. With a topological polar surface area (TPSA) of 48.81 Ų, 5-methoxy-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methoxy-1H-indole-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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-methoxy-1H-indole-3-carbonitrile?
The CAS number of 5-methoxy-1H-indole-3-carbonitrile is 21987-25-7.
What is the molecular formula of 5-methoxy-1H-indole-3-carbonitrile?
The molecular formula of 5-methoxy-1H-indole-3-carbonitrile is C10H8N2O.
What is the molecular weight of 5-methoxy-1H-indole-3-carbonitrile?
The molecular weight of 5-methoxy-1H-indole-3-carbonitrile is 172.06 g/mol.
Where can I buy 5-methoxy-1H-indole-3-carbonitrile?
You can request a quote for 5-methoxy-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methoxy-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.