5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile
TL;DR: 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile (CAS 378236-89-6) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(3,4,5-trimethoxyphenoxy)-1H-indole-3-carbonitrile
Also Known As: 2-amino-5-(3,4,5-trimethoxyphenoxy)-1H-indole-3-carbonitrile, 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 3.43988 |
| Topological Polar Surface Area | 102.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 947.3421 |
Chemical Identifiers
| CAS Number | 378236-89-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)OC2=CC3=C(C=C2)NC(=C3C#N)N |
Product Overview
5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile (CAS 378236-89-6), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: 2-amino-5-(3,4,5-trimethoxyphenoxy)-1H-indole-3-carbonitrile.
Chemical Property Profile of 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile
Property Insights of 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile
The XLogP value of 3.43988 indicates that 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile has 2 hydrogen bond donor(s) and 6 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 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile?
The CAS number of 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile is 378236-89-6.
What is the molecular formula of 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile?
The molecular formula of 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile is C18H17N3O4.
What is the molecular weight of 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile?
The molecular weight of 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile is 339.12 g/mol.
Where can I buy 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile?
You can request a quote for 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4,5-trimethoxyphenoxy)-2-amino-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.