RefChem:218741
TL;DR: RefChem:218741 (CAS 25119-44-2) is a chemical compound with molecular formula C12H17N3OS and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: EINECS 219-490-4, 1,3-Dimethyl-5-((1-methyl-2-pyrrolidinylidene)ethylidene)-2-thioxoimidazolidine-4-one, 1,3-DIMETHYL-5-[(1-METHYL-2-PYRROLIDINYLIDENE)ETHYLIDENE]-2-THIOXOIMIDAZOLIDINE-4-ONE, 1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxoimidazolidin-4-one, (5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C12H17N3OS |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 1.1685 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.10924 |
| Heavy Atoms | 17 |
| Complexity | 427.46667 |
Chemical Identifiers
| CAS Number | 25119-44-2 |
|---|---|
| SMILES | CN\1CCC/C1=C\C=C\2/C(=O)N(C(=S)N2C)C |
Product Overview
RefChem:218741 (CAS 25119-44-2), with molecular formula C12H17N3OS and molecular weight 251.11 g/mol. IUPAC: (5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of RefChem:218741
Property Insights of RefChem:218741
The XLogP value of 1.1685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:218741. With a topological polar surface area (TPSA) of 26.79 Ų, RefChem:218741 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218741 has 0 hydrogen bond donor(s) and 3 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 RefChem:218741?
The CAS number of RefChem:218741 is 25119-44-2.
What is the molecular formula of RefChem:218741?
The molecular formula of RefChem:218741 is C12H17N3OS.
What is the molecular weight of RefChem:218741?
The molecular weight of RefChem:218741 is 251.11 g/mol.
Where can I buy RefChem:218741?
You can request a quote for RefChem:218741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218741?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.