1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
TL;DR: 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 1049785-06-9) is a chemical compound with molecular formula C16H15ClIN3S and molecular weight 442.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(4-chlorophenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide
Also Known As: 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide, L-3741, ({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)methanimidamide hydroiodide, F1386-0171, [1-[(4-chlorophenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide
| Molecular Formula | C16H15ClIN3S |
|---|---|
| Molecular Weight | 442.97 g/mol |
| LogP | 4.94657 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.972 |
| Heavy Atoms | 22 |
| Complexity | 798.76105 |
Chemical Identifiers
| CAS Number | 1049785-06-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)SC(=N)N.I |
Product Overview
1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 1049785-06-9), with molecular formula C16H15ClIN3S and molecular weight 442.97 g/mol. IUPAC: [1-[(4-chlorophenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide.
Chemical Property Profile of 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
Property Insights of 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
The XLogP value of 4.94657 indicates that 1-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The CAS number of 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is 1049785-06-9.
What is the molecular formula of 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular formula of 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is C16H15ClIN3S.
What is the molecular weight of 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular weight of 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is 442.97 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
You can request a quote for 1-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.