N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide
TL;DR: N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide (CAS 315249-20-8) is a chemical compound with molecular formula C13H17FN2S and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-4-methylpiperidine-1-carbothioamide
Also Known As: MixCom6_002459, N-(4-fluorophenyl)-4-methylpiperidine-1-carbothioamide, N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide, BIM-0047530.P001, AN-329/40344743
| Molecular Formula | C13H17FN2S |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.10965 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 315249-20-8 |
|---|---|
| SMILES | CC1CCN(CC1)C(=S)NC2=CC=C(C=C2)F |
| InChIKey | CSJXZIYTOPXCEY-UHFFFAOYSA-N |
Product Overview
N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide (CAS 315249-20-8), with molecular formula C13H17FN2S and molecular weight 252.11 g/mol. IUPAC: N-(4-fluorophenyl)-4-methylpiperidine-1-carbothioamide.
Chemical Property Profile of N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide
Property Insights of N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide
The XLogP value of 3.1 indicates that N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide has 1 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-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide?
The CAS number of N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide is 315249-20-8.
What is the molecular formula of N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide?
The molecular formula of N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide is C13H17FN2S.
What is the molecular weight of N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide?
The molecular weight of N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide is 252.11 g/mol.
Where can I buy N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide?
You can request a quote for N-(4-fluorophenyl)-4-methyl-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-fluorophenyl)-4-methyl-1-piperidinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.