Mononitrosocimetidine
TL;DR: Mononitrosocimetidine (CAS 77893-24-4) is a chemical compound with molecular formula C10H17N7OS and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-1-methyl-2-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine
Also Known As: Mononitrosocimetidine, Guanidine, 2-cyano-1-methyl-3-(2-(((4-methyl-4-imidazolin-5-yl)methyl)thio)ethyl)-1-nitroso-, 3-cyano-1-methyl-2-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine, 2-Cyano-1-methyl-3-[2-[[(4-methyl-4-imidazolin-5-yl)methyl]thio]ethyl]-1-nitrosoguanidine, Guanidine,N'-cyano-N''-[2-[[(2,3-dihydro-5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N-methyl-N-nitroso-
| Molecular Formula | C10H17N7OS |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.12152 |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 77893-24-4 |
|---|---|
| SMILES | CC1=C(NCN1)CSCCN=C(NC#N)N(C)N=O |
| InChIKey | LALZBPWQJUMDSC-UHFFFAOYSA-N |
Product Overview
Mononitrosocimetidine (CAS 77893-24-4), with molecular formula C10H17N7OS and molecular weight 283.12 g/mol. IUPAC: 3-cyano-1-methyl-2-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine.
Chemical Property Profile of Mononitrosocimetidine
Property Insights of Mononitrosocimetidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mononitrosocimetidine. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mononitrosocimetidine. Following Lipinski's Rule of Five, Mononitrosocimetidine has 3 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 Mononitrosocimetidine?
The CAS number of Mononitrosocimetidine is 77893-24-4.
What is the molecular formula of Mononitrosocimetidine?
The molecular formula of Mononitrosocimetidine is C10H17N7OS.
What is the molecular weight of Mononitrosocimetidine?
The molecular weight of Mononitrosocimetidine is 283.12 g/mol.
Where can I buy Mononitrosocimetidine?
You can request a quote for Mononitrosocimetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mononitrosocimetidine?
Yes, KEHONG BIO provides custom synthesis services for Mononitrosocimetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.