4-甲氧基吲哚-3-乙腈
TL;DR: 4-甲氧基吲哚-3-乙腈 (CAS 4837-74-5) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基吲哚-3-乙腈
2-(4-methoxy-1H-indol-3-yl)acetonitrile
Also Known As: Arvelexin, 2-(4-methoxy-1H-indol-3-yl)acetonitrile, 4-Methoxyindole-3-acetonitrile, Isovenenatine, Propiolamide
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 4837-74-5 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=CN2)CC#N |
| InChIKey | DHOVDDVYXBMXDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基吲哚-3-乙腈 (CAS 4837-74-5), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 2-(4-methoxy-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 4-甲氧基吲哚-3-乙腈
Property Insights of 4-甲氧基吲哚-3-乙腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基吲哚-3-乙腈. With a topological polar surface area (TPSA) of 48.8 Ų, 4-甲氧基吲哚-3-乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基吲哚-3-乙腈 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 4-甲氧基吲哚-3-乙腈?
The CAS number of 4-甲氧基吲哚-3-乙腈 is 4837-74-5.
What is the molecular formula of 4-甲氧基吲哚-3-乙腈?
The molecular formula of 4-甲氧基吲哚-3-乙腈 is C11H10N2O.
What is the molecular weight of 4-甲氧基吲哚-3-乙腈?
The molecular weight of 4-甲氧基吲哚-3-乙腈 is 186.08 g/mol.
Where can I buy 4-甲氧基吲哚-3-乙腈?
You can request a quote for 4-甲氧基吲哚-3-乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基吲哚-3-乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基吲哚-3-乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.