ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate
TL;DR: ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate (CAS 6936-32-9) is a chemical compound with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate
Also Known As: 3-Brom-9-oxo-2-dimethylamino-fluoren, ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate, ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine, ETHYL (2S,5R)-2,5-DIMETHYL-4-(PHENYLTHIOCARBAMOYL)PIPERAZINE-1-CARBOXYLATE
| Molecular Formula | C16H23N3O2S |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 2.9345 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.1511 |
| Heavy Atoms | 22 |
| Complexity | 523.382 |
Chemical Identifiers
| CAS Number | 6936-32-9 |
|---|---|
| SMILES | CCOC(=O)N1C[C@H](N(C[C@@H]1C)C(=S)NC2=CC=CC=C2)C |
Product Overview
ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate (CAS 6936-32-9), with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol. IUPAC: ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate.
Chemical Property Profile of ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate
Property Insights of ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate
The XLogP value of 2.9345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 44.81 Ų, ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate has 1 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 ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate?
The CAS number of ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate is 6936-32-9.
What is the molecular formula of ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate?
The molecular formula of ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate is C16H23N3O2S.
What is the molecular weight of ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate?
The molecular weight of ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate is 321.15 g/mol.
Where can I buy ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate?
You can request a quote for ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.