cimetidine dihydrochloride
TL;DR: cimetidine dihydrochloride (CAS 73785-35-0) is a chemical compound with molecular formula C10H18Cl2N6S and molecular weight 324.07 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)methylsulfanyl]ethyl]guanidine;dihydrochloride
Also Known As: cimetidine dihydrochloride, EINECS 277-605-3, N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine dihydrochloride, N-CYANO-N'-METHYL-N''-[2-[[(5-METHYL-1H-IMIDAZOL-4-YL)METHYL]THIO]ETHYL]GUANIDINE DIHYDROCHLORIDE, 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;dihydrochloride
| Molecular Formula | C10H18Cl2N6S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 1.441 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.06906 |
| Heavy Atoms | 19 |
| Complexity | 414.39752 |
Chemical Identifiers
| CAS Number | 73785-35-0 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC(=NC)NC#N.Cl.Cl |
Product Overview
cimetidine dihydrochloride (CAS 73785-35-0), with molecular formula C10H18Cl2N6S and molecular weight 324.07 g/mol. IUPAC: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;dihydrochloride.
Chemical Property Profile of cimetidine dihydrochloride
Property Insights of cimetidine dihydrochloride
The XLogP value of 1.441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cimetidine dihydrochloride. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for cimetidine dihydrochloride. Following Lipinski's Rule of Five, cimetidine dihydrochloride has 3 hydrogen bond donor(s) and 4 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 dihydrochloride?
The CAS number of cimetidine dihydrochloride is 73785-35-0.
What is the molecular formula of cimetidine dihydrochloride?
The molecular formula of cimetidine dihydrochloride is C10H18Cl2N6S.
What is the molecular weight of cimetidine dihydrochloride?
The molecular weight of cimetidine dihydrochloride is 324.07 g/mol.
Where can I buy cimetidine dihydrochloride?
You can request a quote for cimetidine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cimetidine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for cimetidine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.