![N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide structure](/static/products/817/817568-99-3.png)
N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide
TL;DR: N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide (CAS 817568-99-3) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-oxopiperazine-1-carbothioyl)-4-phenylbenzamide
Also Known As: N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide, N-(3-oxopiperazine-1-carbothioyl)-4-phenylbenzamide, N-[(3-oxopiperazin-1-yl)carbonothioyl]biphenyl-4-carboxamide
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 1.8001 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 759.59314 |
Chemical Identifiers
| CAS Number | 817568-99-3 |
|---|---|
| SMILES | C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
Product Overview
N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide (CAS 817568-99-3), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: N-(3-oxopiperazine-1-carbothioyl)-4-phenylbenzamide.
Chemical Property Profile of N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide
Property Insights of N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide
The XLogP value of 1.8001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide. Following Lipinski's Rule of Five, N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide has 2 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 N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide?
The CAS number of N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide is 817568-99-3.
What is the molecular formula of N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide?
The molecular formula of N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide is C18H17N3O2S.
What is the molecular weight of N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide?
The molecular weight of N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide is 339.10 g/mol.
Where can I buy N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide?
You can request a quote for N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-oxo-1-piperazinyl)carbonothioyl]-4-biphenylcarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.