3-(二乙氨甲基)吲哚-5-甲腈
TL;DR: 3-(二乙氨甲基)吲哚-5-甲腈 (CAS 101831-73-6) is a chemical compound with molecular formula C14H17N3 and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(二乙氨甲基)吲哚-5-甲腈
3-(diethylaminomethyl)-1H-indole-5-carbonitrile
Also Known As: 5-Cyano-3-diethylaminomethyl indole, 3-(Diethylamino)methylindole-5-carbonitrile, INDOLE-5-CARBONITRILE, 3-(DIETHYLAMINOMETHYL)-, 3-(diethylaminomethyl)-1H-indole-5-carbonitrile, 3-[(diethylamino)methyl]-1h-indole-5-carbonitrile
| Molecular Formula | C14H17N3 |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.14224 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 101831-73-6 |
|---|---|
| SMILES | CCN(CC)CC1=CNC2=C1C=C(C=C2)C#N |
| InChIKey | JYMRXQIKDFQBFP-UHFFFAOYSA-N |
Product Overview
3-(二乙氨甲基)吲哚-5-甲腈 (CAS 101831-73-6), with molecular formula C14H17N3 and molecular weight 227.14 g/mol. IUPAC: 3-(diethylaminomethyl)-1H-indole-5-carbonitrile.
Chemical Property Profile of 3-(二乙氨甲基)吲哚-5-甲腈
Property Insights of 3-(二乙氨甲基)吲哚-5-甲腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(二乙氨甲基)吲哚-5-甲腈. With a topological polar surface area (TPSA) of 42.8 Ų, 3-(二乙氨甲基)吲哚-5-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(二乙氨甲基)吲哚-5-甲腈 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 3-(二乙氨甲基)吲哚-5-甲腈?
The CAS number of 3-(二乙氨甲基)吲哚-5-甲腈 is 101831-73-6.
What is the molecular formula of 3-(二乙氨甲基)吲哚-5-甲腈?
The molecular formula of 3-(二乙氨甲基)吲哚-5-甲腈 is C14H17N3.
What is the molecular weight of 3-(二乙氨甲基)吲哚-5-甲腈?
The molecular weight of 3-(二乙氨甲基)吲哚-5-甲腈 is 227.14 g/mol.
Where can I buy 3-(二乙氨甲基)吲哚-5-甲腈?
You can request a quote for 3-(二乙氨甲基)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-(二乙氨甲基)吲哚-5-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(二乙氨甲基)吲哚-5-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.