2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate
TL;DR: 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate (CAS 338394-15-3) is a chemical compound with molecular formula C10H15N3O2S2 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] pyrrolidine-1-carbodithioate
Also Known As: 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate, 2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl pyrrolidine-1-carbodithioate, 2B-099, [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] pyrrolidine-1-carbodithioate, 2-oxo-2-(3-oxopyrazolidin-1-yl)ethylpyrrolidine-1-carbodithioate
| Molecular Formula | C10H15N3O2S2 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 0.3638 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.06058 |
| Heavy Atoms | 17 |
| Complexity | 342.44272 |
Chemical Identifiers
| CAS Number | 338394-15-3 |
|---|---|
| SMILES | C1CCN(C1)C(=S)SCC(=O)N2CCC(=O)N2 |
Product Overview
2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate (CAS 338394-15-3), with molecular formula C10H15N3O2S2 and molecular weight 273.06 g/mol. IUPAC: [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate
Property Insights of 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate
The XLogP value of 0.3638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate. With a topological polar surface area (TPSA) of 52.65 Ų, 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate has 1 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 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate?
The CAS number of 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate is 338394-15-3.
What is the molecular formula of 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate?
The molecular formula of 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate is C10H15N3O2S2.
What is the molecular weight of 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate?
The molecular weight of 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate is 273.06 g/mol.
Where can I buy 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate?
You can request a quote for 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(3-oxotetrahydro-1H-pyrazol-1-yl)ethyl 1-pyrrolidinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.