(2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide
TL;DR: (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide (CAS 6936-33-0) is a chemical compound with molecular formula C14H19N3OS and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide
Also Known As: (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide, (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothio, Rel-(2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide
| Molecular Formula | C14H19N3OS |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 1.9344 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.12488 |
| Heavy Atoms | 19 |
| Complexity | 451.26413 |
Chemical Identifiers
| CAS Number | 6936-33-0 |
|---|---|
| SMILES | C[C@@H]1CN([C@H](CN1C(=S)NC2=CC=CC=C2)C)C=O |
Product Overview
(2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide (CAS 6936-33-0), with molecular formula C14H19N3OS and molecular weight 277.12 g/mol. IUPAC: (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide
Property Insights of (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide
The XLogP value of 1.9344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 35.58 Ų, (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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 (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide?
The CAS number of (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide is 6936-33-0.
What is the molecular formula of (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide?
The molecular formula of (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide is C14H19N3OS.
What is the molecular weight of (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide?
The molecular weight of (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide is 277.12 g/mol.
Where can I buy (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide?
You can request a quote for (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2R,5S)-4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.