Cimetidine Hydrochloride
TL;DR: Cimetidine Hydrochloride (CAS 70059-30-2) is a chemical compound with molecular formula C10H17ClN6S and molecular weight 288.09 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;hydrochloride
Also Known As: Cimetidine hydrochloride, Cimetidine Hcl, Cimetex, Tagamet, Endo
| Molecular Formula | C10H17ClN6S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.0924 |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 70059-30-2 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC(=NC)NC#N.Cl |
| InChIKey | QJHCNBWLPSXHBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cimetidine Hydrochloride (CAS 70059-30-2), with molecular formula C10H17ClN6S and molecular weight 288.09 g/mol. IUPAC: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;hydrochloride.
Chemical Property Profile of Cimetidine Hydrochloride
Property Insights of Cimetidine Hydrochloride
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimetidine Hydrochloride. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimetidine Hydrochloride. Following Lipinski's Rule of Five, Cimetidine Hydrochloride has 4 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 Hydrochloride?
The CAS number of Cimetidine Hydrochloride is 70059-30-2.
What is the molecular formula of Cimetidine Hydrochloride?
The molecular formula of Cimetidine Hydrochloride is C10H17ClN6S.
What is the molecular weight of Cimetidine Hydrochloride?
The molecular weight of Cimetidine Hydrochloride is 288.09 g/mol.
Where can I buy Cimetidine Hydrochloride?
You can request a quote for Cimetidine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimetidine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cimetidine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.