N-benzyl-3-hydroxypiperidine-1-carbothioamide
TL;DR: N-benzyl-3-hydroxypiperidine-1-carbothioamide (CAS 454439-07-7) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-hydroxypiperidine-1-carbothioamide
Also Known As: N-benzyl-3-hydroxypiperidine-1-carbothioamide, 1-{[benzylamino]thioxomethyl}piperidin-3-ol, N-benzyl-3-hydroxy-1-piperidinecarbothioamide, N-BENZYL-3-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 1.5178 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 368.94202 |
Chemical Identifiers
| CAS Number | 454439-07-7 |
|---|---|
| SMILES | C1CC(CN(C1)C(=S)NCC2=CC=CC=C2)O |
Product Overview
N-benzyl-3-hydroxypiperidine-1-carbothioamide (CAS 454439-07-7), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: N-benzyl-3-hydroxypiperidine-1-carbothioamide.
Chemical Property Profile of N-benzyl-3-hydroxypiperidine-1-carbothioamide
Property Insights of N-benzyl-3-hydroxypiperidine-1-carbothioamide
The XLogP value of 1.5178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-hydroxypiperidine-1-carbothioamide. With a topological polar surface area (TPSA) of 35.5 Ų, N-benzyl-3-hydroxypiperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-hydroxypiperidine-1-carbothioamide has 2 hydrogen bond donor(s) and 2 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-benzyl-3-hydroxypiperidine-1-carbothioamide?
The CAS number of N-benzyl-3-hydroxypiperidine-1-carbothioamide is 454439-07-7.
What is the molecular formula of N-benzyl-3-hydroxypiperidine-1-carbothioamide?
The molecular formula of N-benzyl-3-hydroxypiperidine-1-carbothioamide is C13H18N2OS.
What is the molecular weight of N-benzyl-3-hydroxypiperidine-1-carbothioamide?
The molecular weight of N-benzyl-3-hydroxypiperidine-1-carbothioamide is 250.11 g/mol.
Where can I buy N-benzyl-3-hydroxypiperidine-1-carbothioamide?
You can request a quote for N-benzyl-3-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-benzyl-3-hydroxypiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-hydroxypiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.