N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide
TL;DR: N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide (CAS 516458-76-7) is a chemical compound with molecular formula C19H23N3OS and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-anilinophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
Also Known As: N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide, N-(4-anilinophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide, 3-(hydroxymethyl)-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide, N-(4-anilinophenyl)-3-methylol-piperidine-1-carbothioamide, [1-({[4-(phenylamino)phenyl]amino}thioxomethyl)-3-piperidyl]methan-1-ol
| Molecular Formula | C19H23N3OS |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.8313 |
| Topological Polar Surface Area | 47.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1562 |
| Heavy Atoms | 24 |
| Complexity | 660.07196 |
Chemical Identifiers
| CAS Number | 516458-76-7 |
|---|---|
| SMILES | C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)CO |
Product Overview
N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide (CAS 516458-76-7), with molecular formula C19H23N3OS and molecular weight 341.16 g/mol. IUPAC: N-(4-anilinophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide.
Chemical Property Profile of N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide
Property Insights of N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide
The XLogP value of 3.8313 indicates that N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.53 Ų, N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide has 3 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-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide?
The CAS number of N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide is 516458-76-7.
What is the molecular formula of N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide?
The molecular formula of N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide is C19H23N3OS.
What is the molecular weight of N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide?
The molecular weight of N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide is 341.16 g/mol.
Where can I buy N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide?
You can request a quote for N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.