Ranitidine Impurity 17
TL;DR: Ranitidine Impurity 17 (CAS 72115-14-1) is a chemical compound with molecular formula C13H21N3O3S2 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitroethenamine
Also Known As: Ranitidine Impurity 17, N,N-Dimethyl-5-[[[2-[[1-(methylthio)-2-nitroethenyl]amino]ethyl]thio]methyl]-2-furanmethanamine, J1.068.395E, (Z)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitroethenamine, (Z)-N-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-1-(methylthio)-2-nitroethen-1-amine
| Molecular Formula | C13H21N3O3S2 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.6026 |
| Topological Polar Surface Area | 71.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 331.10245 |
| Heavy Atoms | 21 |
| Complexity | 474.98148 |
Chemical Identifiers
| CAS Number | 72115-14-1 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCN/C(=C/[N+](=O)[O-])/SC |
Product Overview
Ranitidine Impurity 17 (CAS 72115-14-1), with molecular formula C13H21N3O3S2 and molecular weight 331.10 g/mol. IUPAC: (Z)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitroethenamine.
Chemical Property Profile of Ranitidine Impurity 17
Property Insights of Ranitidine Impurity 17
The XLogP value of 2.6026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ranitidine Impurity 17. The TPSA of 71.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ranitidine Impurity 17. Following Lipinski's Rule of Five, Ranitidine Impurity 17 has 1 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 Ranitidine Impurity 17?
The CAS number of Ranitidine Impurity 17 is 72115-14-1.
What is the molecular formula of Ranitidine Impurity 17?
The molecular formula of Ranitidine Impurity 17 is C13H21N3O3S2.
What is the molecular weight of Ranitidine Impurity 17?
The molecular weight of Ranitidine Impurity 17 is 331.10 g/mol.
Where can I buy Ranitidine Impurity 17?
You can request a quote for Ranitidine Impurity 17 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ranitidine Impurity 17?
Yes, KEHONG BIO provides custom synthesis services for Ranitidine Impurity 17 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.