1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide
TL;DR: 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 1049779-48-7) is a chemical compound with molecular formula C16H16IN3S and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzylindol-3-yl) carbamimidothioate;hydroiodide
Also Known As: 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide, 1-benzyl-1H-indol-3-yl carbamimidothioate hydroiodide, (1-benzylindol-3-yl) carbamimidothioate;hydroiodide, L-5150, [(1-benzyl-1H-indol-3-yl)sulfanyl]methanimidamide hydroiodide
| Molecular Formula | C16H16IN3S |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 4.29317 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.01096 |
| Heavy Atoms | 21 |
| Complexity | 752.56287 |
Chemical Identifiers
| CAS Number | 1049779-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N.I |
Product Overview
1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 1049779-48-7), with molecular formula C16H16IN3S and molecular weight 409.01 g/mol. IUPAC: (1-benzylindol-3-yl) carbamimidothioate;hydroiodide.
Chemical Property Profile of 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide
Property Insights of 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide
The XLogP value of 4.29317 indicates that 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide has 2 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 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
The CAS number of 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide is 1049779-48-7.
What is the molecular formula of 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular formula of 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide is C16H16IN3S.
What is the molecular weight of 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular weight of 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide is 409.01 g/mol.
Where can I buy 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
You can request a quote for 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.