RefChem:285640
TL;DR: RefChem:285640 (CAS 1146-08-3) is a chemical compound with molecular formula C12H22ClN3O2S and molecular weight 307.11212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride
Also Known As: 4,6(1H,5H)-Pyrimidinedione, 5-butyl-5-(2-(dimethylamino)ethyl)dihydro-2-thioxo-, monohydrochloride, 5-butyl-5-(2-dimethylaminoethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride, 5-Butyl-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C12H22ClN3O2S |
| Molecular Weight | 307.11212 g/mol |
| XLogP | 1.0674 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.11212 Da |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| SMILES | CCCCC1(C(=O)NC(=S)NC1=O)CCN(C)C.Cl |
| InChIKey | VISUESYXKIFFMZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:285640
Property Insights of RefChem:285640
The XLogP value of 1.0674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:285640. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:285640. Following Lipinski's Rule of Five, RefChem:285640 has 3 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:285640?
The CAS number of RefChem:285640 is 1146-08-3.
What is the molecular formula of RefChem:285640?
The molecular formula of RefChem:285640 is C12H22ClN3O2S.
What is the molecular weight of RefChem:285640?
The molecular weight of RefChem:285640 is 307.11212 g/mol.
Where can I buy RefChem:285640?
You can request a quote for RefChem:285640 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:285640?
Yes, CoreyChem provides custom synthesis services for RefChem:285640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.