N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide
TL;DR: N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide (CAS 516458-78-9) is a chemical compound with molecular formula C18H21N3OS and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide
Also Known As: ChemDiv3_005794, IDI1_023704, N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide, 4-hydroxy-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide, N-(4-anilinophenyl)-4-hydroxy-1-piperidinecarbothioamide
| Molecular Formula | C18H21N3OS |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 3.5837 |
| Topological Polar Surface Area | 47.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.14053 |
| Heavy Atoms | 23 |
| Complexity | 637.0761 |
Chemical Identifiers
| CAS Number | 516458-78-9 |
|---|---|
| SMILES | C1CN(CCC1O)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 |
Product Overview
N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide (CAS 516458-78-9), with molecular formula C18H21N3OS and molecular weight 327.14 g/mol. IUPAC: N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide.
Chemical Property Profile of N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide
Property Insights of N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide
The XLogP value of 3.5837 indicates that N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide 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)-4-hydroxypiperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide 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)-4-hydroxypiperidine-1-carbothioamide?
The CAS number of N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide is 516458-78-9.
What is the molecular formula of N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide?
The molecular formula of N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide is C18H21N3OS.
What is the molecular weight of N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide?
The molecular weight of N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide is 327.14 g/mol.
Where can I buy N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide?
You can request a quote for N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide 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)-4-hydroxypiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-anilinophenyl)-4-hydroxypiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.