RefChem:1054037
TL;DR: RefChem:1054037 (CAS 117039-07-3) is a chemical compound with molecular formula C13H26Cl2N4OS and molecular weight 356.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] carbamimidothioate;dihydrochloride
Also Known As: (1-N-Pyrrolidinoyl-3-piperidino)propyl-2-isothiouronium dihydrochloride, Carbamimidothioic acid, 1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl ester, dihydrochloride, 1-(2-Oxopyrrolidin-1-yl)-3-(piperidin-1-yl)propan-2-yl carbamimidothioate--hydrogen chloride (1/2), [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] carbamimidothioate dihydrochloride
Technical Specifications
| Molecular Formula | C13H26Cl2N4OS |
| Molecular Weight | 356.12045 g/mol |
| XLogP | 1.93357 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.12045 Da |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
| SMILES | C1CCN(CC1)CC(CN2CCCC2=O)SC(=N)N.Cl.Cl |
| InChIKey | SZSUCZXKVXSNJK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1054037
Property Insights of RefChem:1054037
The XLogP value of 1.93357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054037. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054037. Following Lipinski's Rule of Five, RefChem:1054037 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
What is the CAS number of RefChem:1054037?
The CAS number of RefChem:1054037 is 117039-07-3.
What is the molecular formula of RefChem:1054037?
The molecular formula of RefChem:1054037 is C13H26Cl2N4OS.
What is the molecular weight of RefChem:1054037?
The molecular weight of RefChem:1054037 is 356.12045 g/mol.
Where can I buy RefChem:1054037?
You can request a quote for RefChem:1054037 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054037?
Yes, CoreyChem provides custom synthesis services for RefChem:1054037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.