Thiabenzazonium
TL;DR: Thiabenzazonium (CAS 54663-47-7) is a chemical compound with molecular formula C28H32IN3S2 and molecular weight 601.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-1H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium iodide
Also Known As: Thiabenzazonium, Tibezonium iodide, Tibenzonio ioduro, Tibezonii iodidum, Tibenzonium iodide
| Molecular Formula | C28H32IN3S2 |
|---|---|
| Molecular Weight | 601.11 g/mol |
| LogP | 4.56 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 601.1082 |
| Heavy Atoms | 34 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 54663-47-7 |
|---|---|
| SMILES | CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2NC(=C1)C3=CC=C(C=C3)SC4=CC=CC=C4.[I-] |
| InChIKey | NUBOIXAQRODMHU-UHFFFAOYSA-M |
Product Overview
Thiabenzazonium (CAS 54663-47-7), with molecular formula C28H32IN3S2 and molecular weight 601.11 g/mol. IUPAC: diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-1H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium iodide.
Chemical Property Profile of Thiabenzazonium
Property Insights of Thiabenzazonium
The XLogP value of 4.56 indicates that Thiabenzazonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiabenzazonium. Following Lipinski's Rule of Five, Thiabenzazonium has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiabenzazonium?
The CAS number of Thiabenzazonium is 54663-47-7.
What is the molecular formula of Thiabenzazonium?
The molecular formula of Thiabenzazonium is C28H32IN3S2.
What is the molecular weight of Thiabenzazonium?
The molecular weight of Thiabenzazonium is 601.11 g/mol.
Where can I buy Thiabenzazonium?
You can request a quote for Thiabenzazonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiabenzazonium?
Yes, KEHONG BIO provides custom synthesis services for Thiabenzazonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.