Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-
TL;DR: Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- (CAS 91086-38-3) is a chemical compound with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(piperazin-1-ylmethylsulfanyl)propanoic acid
Also Known As: Sch 1002, Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-, 2-Methyl-2-((1-piperazinylmethyl)thio)propionic acid, 5-23-01-00041 (Beilstein Handbook Reference), 2-methyl-2-(piperazin-1-ylmethylsulfanyl)propanoic acid
| Molecular Formula | C9H18N2O2S |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 0.4455 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.1089 |
| Heavy Atoms | 14 |
| Complexity | 202.98863 |
Chemical Identifiers
| CAS Number | 91086-38-3 |
|---|---|
| SMILES | CC(C)(C(=O)O)SCN1CCNCC1 |
Product Overview
Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- (CAS 91086-38-3), with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol. IUPAC: 2-methyl-2-(piperazin-1-ylmethylsulfanyl)propanoic acid.
Chemical Property Profile of Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-
Property Insights of Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-
The XLogP value of 0.4455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-. With a topological polar surface area (TPSA) of 52.57 Ų, Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- 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 Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-?
The CAS number of Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- is 91086-38-3.
What is the molecular formula of Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-?
The molecular formula of Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- is C9H18N2O2S.
What is the molecular weight of Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-?
The molecular weight of Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- is 218.11 g/mol.
Where can I buy Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-?
You can request a quote for Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.