2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile
TL;DR: 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile (CAS 378236-73-8) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile
Also Known As: 2-amino-5-((3,4-dimethoxyphenyl)thio)-1h-indole-3-carbonitrile, 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.79018 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 912.0779 |
Chemical Identifiers
| CAS Number | 378236-73-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N)OC |
Product Overview
2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile (CAS 378236-73-8), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile.
Chemical Property Profile of 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile
Property Insights of 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile
The XLogP value of 3.79018 indicates that 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile has 2 hydrogen bond donor(s) and 5 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 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile?
The CAS number of 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile is 378236-73-8.
What is the molecular formula of 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile?
The molecular formula of 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile is C17H15N3O2S.
What is the molecular weight of 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile?
The molecular weight of 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile is 325.09 g/mol.
Where can I buy 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile?
You can request a quote for 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-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 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-5-(3,4-dimethoxyphenyl)sulfanyl-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.