Elesclomol
TL;DR: Elesclomol (CAS 488832-69-5) is a chemical compound with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide
Also Known As: Elesclomol, Elesclomol (STA-4783), elesclomolum, Elesclomol [USAN], Elesclomol (USAN)
| Molecular Formula | C19H20N4O2S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.10278 |
| Heavy Atoms | 27 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 488832-69-5 |
|---|---|
| SMILES | CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2 |
| InChIKey | BKJIXTWSNXCKJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elesclomol (CAS 488832-69-5), with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol. IUPAC: 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide.
Chemical Property Profile of Elesclomol
Property Insights of Elesclomol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elesclomol. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Elesclomol. Following Lipinski's Rule of Five, Elesclomol has 2 hydrogen bond donor(s) and 4 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 Elesclomol?
The CAS number of Elesclomol is 488832-69-5.
What is the molecular formula of Elesclomol?
The molecular formula of Elesclomol is C19H20N4O2S2.
What is the molecular weight of Elesclomol?
The molecular weight of Elesclomol is 400.10 g/mol.
Where can I buy Elesclomol?
You can request a quote for Elesclomol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elesclomol?
Yes, KEHONG BIO provides custom synthesis services for Elesclomol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.