1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide
TL;DR: 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide (CAS 1052406-16-2) is a chemical compound with molecular formula C18H19IN4OS and molecular weight 466.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-benzamidoethyl)indol-3-yl] carbamimidothioate;hydroiodide
Also Known As: 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide, F1386-0195, N-{2-[3-(carbamimidoylsulfanyl)-1H-indol-1-yl]ethyl}benzamide hydroiodide, [1-(2-benzamidoethyl)indol-3-yl] carbamimidothioate hydroiodide, [1-(2-benzamidoethyl)indol-3-yl] carbamimidothioate;hydroiodide
| Molecular Formula | C18H19IN4OS |
|---|---|
| Molecular Weight | 466.03 g/mol |
| LogP | 3.67487 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.03244 |
| Heavy Atoms | 25 |
| Complexity | 879.1733 |
Chemical Identifiers
| CAS Number | 1052406-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I |
Product Overview
1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide (CAS 1052406-16-2), with molecular formula C18H19IN4OS and molecular weight 466.03 g/mol. IUPAC: [1-(2-benzamidoethyl)indol-3-yl] carbamimidothioate;hydroiodide.
Chemical Property Profile of 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide
Property Insights of 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide
The XLogP value of 3.67487 indicates that 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide. Following Lipinski's Rule of Five, 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide has 3 hydrogen bond donor(s) and 3 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 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
The CAS number of 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide is 1052406-16-2.
What is the molecular formula of 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
The molecular formula of 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide is C18H19IN4OS.
What is the molecular weight of 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
The molecular weight of 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide is 466.03 g/mol.
Where can I buy 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
You can request a quote for 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-benzamidoethyl)-1H-indol-3-yl carbamimidothioate hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.