Indole-5-carbonitrile, 3-(morpholinomethyl)-
TL;DR: Indole-5-carbonitrile, 3-(morpholinomethyl)- (CAS 101831-79-2) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(morpholin-4-ylmethyl)-1H-indole-5-carbonitrile
Also Known As: 3-(Morpholinomethyl)-1H-indole-5-carbonitrile, 5-Cyano-3-N-morpholinomethyl indole, 3-(Morpholinomethyl)indole-5-carbonitrile, INDOLE-5-CARBONITRILE, 3-(MORPHOLINOMETHYL)-, 3-(morpholin-4-ylmethyl)-1H-indole-5-carbonitrile
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 101831-79-2 |
|---|---|
| SMILES | C1COCCN1CC2=CNC3=C2C=C(C=C3)C#N |
| InChIKey | DXVZCTCQFINTBY-UHFFFAOYSA-N |
Product Overview
Indole-5-carbonitrile, 3-(morpholinomethyl)- (CAS 101831-79-2), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: 3-(morpholin-4-ylmethyl)-1H-indole-5-carbonitrile.
Chemical Property Profile of Indole-5-carbonitrile, 3-(morpholinomethyl)-
Property Insights of Indole-5-carbonitrile, 3-(morpholinomethyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-(morpholinomethyl)-. With a topological polar surface area (TPSA) of 52.1 Ų, Indole-5-carbonitrile, 3-(morpholinomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-(morpholinomethyl)- has 1 hydrogen bond donor(s) and 3 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 Indole-5-carbonitrile, 3-(morpholinomethyl)-?
The CAS number of Indole-5-carbonitrile, 3-(morpholinomethyl)- is 101831-79-2.
What is the molecular formula of Indole-5-carbonitrile, 3-(morpholinomethyl)-?
The molecular formula of Indole-5-carbonitrile, 3-(morpholinomethyl)- is C14H15N3O.
What is the molecular weight of Indole-5-carbonitrile, 3-(morpholinomethyl)-?
The molecular weight of Indole-5-carbonitrile, 3-(morpholinomethyl)- is 241.12 g/mol.
Where can I buy Indole-5-carbonitrile, 3-(morpholinomethyl)-?
You can request a quote for Indole-5-carbonitrile, 3-(morpholinomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-5-carbonitrile, 3-(morpholinomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole-5-carbonitrile, 3-(morpholinomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.