Cimetidine sulfoxide
TL;DR: Cimetidine sulfoxide (CAS 54237-72-8) is a chemical compound with molecular formula C10H16N6OS and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]guanidine
Also Known As: Cimetidine sulfoxide, cimetidine S-oxide, Cimetidine EP Impurity E, Cimetidine impurity E, (+)-Cimetidine S-oxide
| Molecular Formula | C10H16N6OS |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.11063 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 54237-72-8 |
|---|---|
| SMILES | CC1=C(N=CN1)CS(=O)CCNC(=NC)NC#N |
| InChIKey | HOJLJLYVNQFCRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cimetidine sulfoxide (CAS 54237-72-8), with molecular formula C10H16N6OS and molecular weight 268.11 g/mol. IUPAC: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]guanidine.
Chemical Property Profile of Cimetidine sulfoxide
Property Insights of Cimetidine sulfoxide
The XLogP value of -1.1 indicates that Cimetidine sulfoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimetidine sulfoxide. Following Lipinski's Rule of Five, Cimetidine sulfoxide has 3 hydrogen bond donor(s) and 5 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 Cimetidine sulfoxide?
The CAS number of Cimetidine sulfoxide is 54237-72-8.
What is the molecular formula of Cimetidine sulfoxide?
The molecular formula of Cimetidine sulfoxide is C10H16N6OS.
What is the molecular weight of Cimetidine sulfoxide?
The molecular weight of Cimetidine sulfoxide is 268.11 g/mol.
Where can I buy Cimetidine sulfoxide?
You can request a quote for Cimetidine sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimetidine sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Cimetidine sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.