Nicotinamide, N-(alpha-methylphenethyl)thio-
TL;DR: Nicotinamide, N-(alpha-methylphenethyl)thio- (CAS 18010-72-5) is a chemical compound with molecular formula C15H16N2S and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-phenylpropan-2-yl)pyridine-3-carbothioamide
Also Known As: Thiophenatine, N-(alpha-Methylphenethyl)thionicotinamide, Nicotinamide, N-(alpha-methylphenethyl)thio-, N-(1-Methyl-2-phenylethyl)-3-pyridinecarboxamide, 3-Pyridinecarbothioamide, N-(1-methyl-2-phenylethyl)-
| Molecular Formula | C15H16N2S |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.9779 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10342 |
| Heavy Atoms | 18 |
| Complexity | 496.41675 |
Chemical Identifiers
| CAS Number | 18010-72-5 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)NC(=S)C2=CN=CC=C2 |
Product Overview
Nicotinamide, N-(alpha-methylphenethyl)thio- (CAS 18010-72-5), with molecular formula C15H16N2S and molecular weight 256.10 g/mol. IUPAC: N-(1-phenylpropan-2-yl)pyridine-3-carbothioamide.
Chemical Property Profile of Nicotinamide, N-(alpha-methylphenethyl)thio-
Property Insights of Nicotinamide, N-(alpha-methylphenethyl)thio-
The XLogP value of 2.9779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinamide, N-(alpha-methylphenethyl)thio-. With a topological polar surface area (TPSA) of 24.92 Ų, Nicotinamide, N-(alpha-methylphenethyl)thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinamide, N-(alpha-methylphenethyl)thio- 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 Nicotinamide, N-(alpha-methylphenethyl)thio-?
The CAS number of Nicotinamide, N-(alpha-methylphenethyl)thio- is 18010-72-5.
What is the molecular formula of Nicotinamide, N-(alpha-methylphenethyl)thio-?
The molecular formula of Nicotinamide, N-(alpha-methylphenethyl)thio- is C15H16N2S.
What is the molecular weight of Nicotinamide, N-(alpha-methylphenethyl)thio-?
The molecular weight of Nicotinamide, N-(alpha-methylphenethyl)thio- is 256.10 g/mol.
Where can I buy Nicotinamide, N-(alpha-methylphenethyl)thio-?
You can request a quote for Nicotinamide, N-(alpha-methylphenethyl)thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinamide, N-(alpha-methylphenethyl)thio-?
Yes, KEHONG BIO provides custom synthesis services for Nicotinamide, N-(alpha-methylphenethyl)thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.