Thiocarbarsone
TL;DR: Thiocarbarsone (CAS 120-02-5) is a chemical compound with molecular formula C11H13AsN2O5S2 and molecular weight 391.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
Also Known As: Thiocarbarsone, Chemotherapy Center No. 914, THIOCARBARSONE [MI], C.C. No. 914, CC 914
| Molecular Formula | C11H13AsN2O5S2 |
|---|---|
| Molecular Weight | 391.95 g/mol |
| LogP | 0.51 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.94818 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 120-02-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N)[As](SCC(=O)O)SCC(=O)O |
| InChIKey | VULRLPILKVVAQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocarbarsone (CAS 120-02-5), with molecular formula C11H13AsN2O5S2 and molecular weight 391.95 g/mol. IUPAC: 2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid.
Chemical Property Profile of Thiocarbarsone
Property Insights of Thiocarbarsone
The XLogP value of 0.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocarbarsone. The TPSA of 180.0 Ų indicates high polarity, suggesting Thiocarbarsone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocarbarsone has 4 hydrogen bond donor(s) and 7 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 Thiocarbarsone?
The CAS number of Thiocarbarsone is 120-02-5.
What is the molecular formula of Thiocarbarsone?
The molecular formula of Thiocarbarsone is C11H13AsN2O5S2.
What is the molecular weight of Thiocarbarsone?
The molecular weight of Thiocarbarsone is 391.95 g/mol.
Where can I buy Thiocarbarsone?
You can request a quote for Thiocarbarsone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarbarsone?
Yes, KEHONG BIO provides custom synthesis services for Thiocarbarsone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.