![3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide structure](/static/products/885/885372-13-4.png)
3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide
TL;DR: 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide (CAS 885372-13-4) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylidenepropanamide
Also Known As: TOS-BB-0912, 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide, 2-carbamothioyl-N-[2-(1H-indol-3-yl)ethyl]acetamide, 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylidenepropanamide
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 1.5028 |
| Topological Polar Surface Area | 70.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 576.375 |
Chemical Identifiers
| CAS Number | 885372-13-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CC(=S)N |
Product Overview
3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide (CAS 885372-13-4), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylidenepropanamide.
Chemical Property Profile of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide
Property Insights of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide
The XLogP value of 1.5028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide. The TPSA of 70.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide. Following Lipinski's Rule of Five, 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide has 3 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-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide?
The CAS number of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide is 885372-13-4.
What is the molecular formula of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide?
The molecular formula of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide is C13H15N3OS.
What is the molecular weight of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide?
The molecular weight of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide is 261.09 g/mol.
Where can I buy 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide?
You can request a quote for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-3-thioxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.