吲哚-3-丁腈
TL;DR: 吲哚-3-丁腈 (CAS 59576-26-0) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚-3-丁腈
4-(1H-indol-3-yl)butanenitrile
Also Known As: Indole-3-butyronitrile, 4-(1H-indol-3-yl)butanenitrile, 4-indol-3-yl-butyronitrile, RefChem:349309
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 59576-26-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC#N |
| InChIKey | DMOOCXFGXNBREO-UHFFFAOYSA-N |
Product Overview
吲哚-3-丁腈 (CAS 59576-26-0), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 4-(1H-indol-3-yl)butanenitrile.
Chemical Property Profile of 吲哚-3-丁腈
Property Insights of 吲哚-3-丁腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-3-丁腈. With a topological polar surface area (TPSA) of 39.6 Ų, 吲哚-3-丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚-3-丁腈 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 吲哚-3-丁腈?
The CAS number of 吲哚-3-丁腈 is 59576-26-0.
What is the molecular formula of 吲哚-3-丁腈?
The molecular formula of 吲哚-3-丁腈 is C12H12N2.
What is the molecular weight of 吲哚-3-丁腈?
The molecular weight of 吲哚-3-丁腈 is 184.10 g/mol.
Where can I buy 吲哚-3-丁腈?
You can request a quote for 吲哚-3-丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚-3-丁腈?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-3-丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.