N-cycloheptyl-2-mercaptonicotinamide
TL;DR: N-cycloheptyl-2-mercaptonicotinamide (CAS 451473-73-7) 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-cycloheptyl-2-sulfanylidene-1H-pyridine-3-carboxamide
Also Known As: N-cycloheptyl-2-mercaptonicotinamide, N-cycloheptyl-2-sulfanylidene-1H-pyridine-3-carboxamide, N-cycloheptyl-2-thioxo-1H-pyridine-3-carboxamide, 3-Pyridinecarboxamide, N-cycloheptyl-1,2-dihydro-2-thioxo- (9CI)
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.19679 |
| Topological Polar Surface Area | 44.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 433.04565 |
Chemical Identifiers
| CAS Number | 451473-73-7 |
|---|---|
| SMILES | C1CCCC(CC1)NC(=O)C2=CC=CNC2=S |
Product Overview
N-cycloheptyl-2-mercaptonicotinamide (CAS 451473-73-7), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: N-cycloheptyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
Chemical Property Profile of N-cycloheptyl-2-mercaptonicotinamide
Property Insights of N-cycloheptyl-2-mercaptonicotinamide
The XLogP value of 3.19679 indicates that N-cycloheptyl-2-mercaptonicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.89 Ų, N-cycloheptyl-2-mercaptonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cycloheptyl-2-mercaptonicotinamide 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-cycloheptyl-2-mercaptonicotinamide?
The CAS number of N-cycloheptyl-2-mercaptonicotinamide is 451473-73-7.
What is the molecular formula of N-cycloheptyl-2-mercaptonicotinamide?
The molecular formula of N-cycloheptyl-2-mercaptonicotinamide is C13H18N2OS.
What is the molecular weight of N-cycloheptyl-2-mercaptonicotinamide?
The molecular weight of N-cycloheptyl-2-mercaptonicotinamide is 250.11 g/mol.
Where can I buy N-cycloheptyl-2-mercaptonicotinamide?
You can request a quote for N-cycloheptyl-2-mercaptonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cycloheptyl-2-mercaptonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-cycloheptyl-2-mercaptonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.