RefChem:371751
TL;DR: RefChem:371751 (CAS 99822-68-1) is a chemical compound with molecular formula C10H20Cl2N4OS and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
Also Known As: 1-(2-Imidazolinylthioacetyl)-4-methylpiperazine, Piperazine, 1-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)-4-methyl-, dihydrochloride, 1-(((4,5-Dihydro-1H-imidazol-2-yl)thio)acetyl)-4-methylpiperazine dihydrochloride, 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone dihydrochloride, 2-[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C10H20Cl2N4OS |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 0.2964 |
| Topological Polar Surface Area | 47.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0735 |
| Heavy Atoms | 18 |
| Complexity | 295.60226 |
Chemical Identifiers
| CAS Number | 99822-68-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CSC2=NCCN2.Cl.Cl |
Product Overview
RefChem:371751 (CAS 99822-68-1), with molecular formula C10H20Cl2N4OS and molecular weight 314.07 g/mol. IUPAC: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride.
Chemical Property Profile of RefChem:371751
Property Insights of RefChem:371751
The XLogP value of 0.2964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371751. With a topological polar surface area (TPSA) of 47.94 Ų, RefChem:371751 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371751 has 1 hydrogen bond donor(s) and 5 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:371751?
The CAS number of RefChem:371751 is 99822-68-1.
What is the molecular formula of RefChem:371751?
The molecular formula of RefChem:371751 is C10H20Cl2N4OS.
What is the molecular weight of RefChem:371751?
The molecular weight of RefChem:371751 is 314.07 g/mol.
Where can I buy RefChem:371751?
You can request a quote for RefChem:371751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.