Dibenzylrubeanic acid
TL;DR: Dibenzylrubeanic acid (CAS 122-65-6) is a chemical compound with molecular formula C16H16N2S2 and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-dibenzylethanedithioamide
Also Known As: Dibenzylrubeanic acid, N,N'-Dibenzyldithiooxamide, N,N'-dibenzylethanedithioamide, Dibenzylhydrorubeanic acid, USAF MK-1
| Molecular Formula | C16H16N2S2 |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0755 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 122-65-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)C(=S)NCC2=CC=CC=C2 |
| InChIKey | KNRMURHAZMNRGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzylrubeanic acid (CAS 122-65-6), with molecular formula C16H16N2S2 and molecular weight 300.08 g/mol. IUPAC: N,N'-dibenzylethanedithioamide.
Chemical Property Profile of Dibenzylrubeanic acid
Property Insights of Dibenzylrubeanic acid
The XLogP value of 3.4 indicates that Dibenzylrubeanic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzylrubeanic acid. Following Lipinski's Rule of Five, Dibenzylrubeanic acid 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 Dibenzylrubeanic acid?
The CAS number of Dibenzylrubeanic acid is 122-65-6.
What is the molecular formula of Dibenzylrubeanic acid?
The molecular formula of Dibenzylrubeanic acid is C16H16N2S2.
What is the molecular weight of Dibenzylrubeanic acid?
The molecular weight of Dibenzylrubeanic acid is 300.08 g/mol.
Where can I buy Dibenzylrubeanic acid?
You can request a quote for Dibenzylrubeanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzylrubeanic acid?
Yes, KEHONG BIO provides custom synthesis services for Dibenzylrubeanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.