N-Nitrosocimetidine
TL;DR: N-Nitrosocimetidine (CAS 73785-40-7) is a chemical compound with molecular formula C10H15N7OS and molecular weight 281.11 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-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine
Also Known As: N-Nitrosocimetidine, Nitrosocimetidine, Nitrocimetidine, Mononitrosocimetidine, N-Nitroso Cimetidine
| Molecular Formula | C10H15N7OS |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.10587 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 73785-40-7 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O |
| InChIKey | LFTUYYPQNCJQGN-UHFFFAOYSA-N |
Product Overview
N-Nitrosocimetidine (CAS 73785-40-7), with molecular formula C10H15N7OS and molecular weight 281.11 g/mol. IUPAC: 3-cyano-1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine.
Chemical Property Profile of N-Nitrosocimetidine
Property Insights of N-Nitrosocimetidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosocimetidine. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosocimetidine. Following Lipinski's Rule of Five, N-Nitrosocimetidine has 2 hydrogen bond donor(s) and 6 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 N-Nitrosocimetidine?
The CAS number of N-Nitrosocimetidine is 73785-40-7.
What is the molecular formula of N-Nitrosocimetidine?
The molecular formula of N-Nitrosocimetidine is C10H15N7OS.
What is the molecular weight of N-Nitrosocimetidine?
The molecular weight of N-Nitrosocimetidine is 281.11 g/mol.
Where can I buy N-Nitrosocimetidine?
You can request a quote for N-Nitrosocimetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosocimetidine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosocimetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.