p-Nitrothiobenzopiperidide
TL;DR: p-Nitrothiobenzopiperidide (CAS 50903-07-6) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-piperidin-1-ylmethanethione
Also Known As: p-Nitrothiobenzopiperidide, p-Nitrobenzoesaeurethiopiperidid, 1-(4-Nitrothiobenzoyl)piperidine, (4-nitrophenyl)-piperidin-1-ylmethanethione, (4-nitrophenyl)(piperidin-1-yl)methanethione
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 50903-07-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XNWZHGPKSJUIAS-UHFFFAOYSA-N |
Product Overview
p-Nitrothiobenzopiperidide (CAS 50903-07-6), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: (4-nitrophenyl)-piperidin-1-ylmethanethione.
Chemical Property Profile of p-Nitrothiobenzopiperidide
Property Insights of p-Nitrothiobenzopiperidide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrothiobenzopiperidide. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrothiobenzopiperidide. Following Lipinski's Rule of Five, p-Nitrothiobenzopiperidide has 0 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 p-Nitrothiobenzopiperidide?
The CAS number of p-Nitrothiobenzopiperidide is 50903-07-6.
What is the molecular formula of p-Nitrothiobenzopiperidide?
The molecular formula of p-Nitrothiobenzopiperidide is C12H14N2O2S.
What is the molecular weight of p-Nitrothiobenzopiperidide?
The molecular weight of p-Nitrothiobenzopiperidide is 250.08 g/mol.
Where can I buy p-Nitrothiobenzopiperidide?
You can request a quote for p-Nitrothiobenzopiperidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrothiobenzopiperidide?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrothiobenzopiperidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.