Dinitrosocimetidine
TL;DR: Dinitrosocimetidine (CAS 82038-92-4) is a chemical compound with molecular formula C10H16N8O2S and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-1-methyl-3-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1,3-dinitrosoguanidine
Also Known As: Dinitrosocimetidine, 2-Cyano-1,3-dinitroso-3-methyl-1-[2-[[ methyl]thio]ethyl]guanidine, Guanidine, 2-cyano-1,3-dinitroso-3-methyl-1-(2-(((4-methyl-4-imidazolin-5-yl)methyl)thio)ethyl)-, 2-CYANO-1,3-DINITROSO-3-METHYL-1-(2-(((4-METHYL-4-IMIDAZOLIN-5-YL)METHYL)THIO)ETHYL)GUANIDINE, 2-Cyano-1,3-dinitroso-3-methyl-1-[2-[[(5-methyl-4-imidazolin-4-yl)methyl]thio]ethyl]guanidine
| Molecular Formula | C10H16N8O2S |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1117 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 82038-92-4 |
|---|---|
| SMILES | CC1=C(NCN1)CSCCN(C(=NC#N)N(C)N=O)N=O |
| InChIKey | WYLIKPMBWILUHA-UHFFFAOYSA-N |
Product Overview
Dinitrosocimetidine (CAS 82038-92-4), with molecular formula C10H16N8O2S and molecular weight 312.11 g/mol. IUPAC: 2-cyano-1-methyl-3-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1,3-dinitrosoguanidine.
Chemical Property Profile of Dinitrosocimetidine
Property Insights of Dinitrosocimetidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitrosocimetidine. The TPSA of 151.0 Ų indicates high polarity, suggesting Dinitrosocimetidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinitrosocimetidine has 2 hydrogen bond donor(s) and 9 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 Dinitrosocimetidine?
The CAS number of Dinitrosocimetidine is 82038-92-4.
What is the molecular formula of Dinitrosocimetidine?
The molecular formula of Dinitrosocimetidine is C10H16N8O2S.
What is the molecular weight of Dinitrosocimetidine?
The molecular weight of Dinitrosocimetidine is 312.11 g/mol.
Where can I buy Dinitrosocimetidine?
You can request a quote for Dinitrosocimetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitrosocimetidine?
Yes, KEHONG BIO provides custom synthesis services for Dinitrosocimetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.