N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide
TL;DR: N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide (CAS 799816-67-4) is a chemical compound with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]-9H-xanthene-9-carboxamide
Also Known As: N-[(2-pyridin-3-yl-1-piperidyl)thiocarbamoyl]-9H-xanthene-9-carboxamide, N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]-9H-xanthene-9-carboxamide, N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide, N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}-9H-xanthene-9-carboxamide
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 4.4521 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1092.0505 |
Chemical Identifiers
| CAS Number | 799816-67-4 |
|---|---|
| SMILES | C1CCN(C(C1)C2=CN=CC=C2)NC(=S)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide (CAS 799816-67-4), with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol. IUPAC: N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]-9H-xanthene-9-carboxamide.
Chemical Property Profile of N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide
Property Insights of N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide
The XLogP value of 4.4521 indicates that N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide. Following Lipinski's Rule of Five, N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide has 2 hydrogen bond donor(s) and 5 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-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide?
The CAS number of N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide is 799816-67-4.
What is the molecular formula of N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide?
The molecular formula of N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide is C25H24N4O2S.
What is the molecular weight of N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide?
The molecular weight of N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide is 444.16 g/mol.
Where can I buy N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide?
You can request a quote for N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)-9H-xanthene-9-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.