3-(吗啉甲基)吲哚-5-甲腈
TL;DR: 3-(吗啉甲基)吲哚-5-甲腈 (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-(吗啉甲基)吲哚-5-甲腈
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
3-(吗啉甲基)吲哚-5-甲腈 (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 3-(吗啉甲基)吲哚-5-甲腈
Property Insights of 3-(吗啉甲基)吲哚-5-甲腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(吗啉甲基)吲哚-5-甲腈. With a topological polar surface area (TPSA) of 52.1 Ų, 3-(吗啉甲基)吲哚-5-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(吗啉甲基)吲哚-5-甲腈 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 3-(吗啉甲基)吲哚-5-甲腈?
The CAS number of 3-(吗啉甲基)吲哚-5-甲腈 is 101831-79-2.
What is the molecular formula of 3-(吗啉甲基)吲哚-5-甲腈?
The molecular formula of 3-(吗啉甲基)吲哚-5-甲腈 is C14H15N3O.
What is the molecular weight of 3-(吗啉甲基)吲哚-5-甲腈?
The molecular weight of 3-(吗啉甲基)吲哚-5-甲腈 is 241.12 g/mol.
Where can I buy 3-(吗啉甲基)吲哚-5-甲腈?
You can request a quote for 3-(吗啉甲基)吲哚-5-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(吗啉甲基)吲哚-5-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(吗啉甲基)吲哚-5-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.