1,1-Dimethylisoselenourea
TL;DR: 1,1-Dimethylisoselenourea (CAS 5117-16-8) is a chemical compound with molecular formula C3H8N2Se and molecular weight 151.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethylcarbamimidoselenoic acid
Also Known As: 1,1-dimethylisoselenourea, N,N-dimethylcarbamimidoselenoic acid, N,N-dimethyl-1-selanyl-methanimidamide, C3H8N2Se
| Molecular Formula | C3H8N2Se |
|---|---|
| Molecular Weight | 151.99 g/mol |
| LogP | -0.62 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.98528 |
| Heavy Atoms | 6 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 5117-16-8 |
|---|---|
| SMILES | CN(C)C(=N)[SeH] |
| InChIKey | NRTHBQJARHPPAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethylisoselenourea (CAS 5117-16-8), with molecular formula C3H8N2Se and molecular weight 151.99 g/mol. IUPAC: N,N-dimethylcarbamimidoselenoic acid.
Chemical Property Profile of 1,1-Dimethylisoselenourea
Property Insights of 1,1-Dimethylisoselenourea
The XLogP value of -0.62 indicates that 1,1-Dimethylisoselenourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.1 Ų, 1,1-Dimethylisoselenourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylisoselenourea has 1 hydrogen bond donor(s) and 1 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 1,1-Dimethylisoselenourea?
The CAS number of 1,1-Dimethylisoselenourea is 5117-16-8.
What is the molecular formula of 1,1-Dimethylisoselenourea?
The molecular formula of 1,1-Dimethylisoselenourea is C3H8N2Se.
What is the molecular weight of 1,1-Dimethylisoselenourea?
The molecular weight of 1,1-Dimethylisoselenourea is 151.99 g/mol.
Where can I buy 1,1-Dimethylisoselenourea?
You can request a quote for 1,1-Dimethylisoselenourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylisoselenourea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylisoselenourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.