4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride
TL;DR: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride (CAS 1158-52-7) is a chemical compound with molecular formula C16H20ClN3O2S and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride, 5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Hydrochloride, 5-Phenyl-5-[2-(pyrrolidin-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione--hydrogen chloride (1/1), RefChem:285663
| Molecular Formula | C16H20ClN3O2S |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 1.363 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.09647 |
| Heavy Atoms | 23 |
| Complexity | 582.6027 |
Chemical Identifiers
| CAS Number | 1158-52-7 |
|---|---|
| SMILES | C1CCN(C1)CCC2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3.Cl |
Product Overview
4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride (CAS 1158-52-7), with molecular formula C16H20ClN3O2S and molecular weight 353.10 g/mol. IUPAC: 5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride.
Chemical Property Profile of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride
Property Insights of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride
The XLogP value of 1.363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride. Following Lipinski's Rule of Five, 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride has 2 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 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride?
The CAS number of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride is 1158-52-7.
What is the molecular formula of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride?
The molecular formula of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride is C16H20ClN3O2S.
What is the molecular weight of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride?
The molecular weight of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride is 353.10 g/mol.
Where can I buy 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride?
You can request a quote for 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,6(1H,5H)-Pyrimidinedione, dihydro-5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-2-thioxo-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.