4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile
TL;DR: 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile (CAS 832741-18-1) is a chemical compound with molecular formula C10H8F2N2S and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclopropyl-6-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile, 4-Cyclopropyl-6-difluoromethyl-2-mercapto-nicotinonitrile, 4-cyclopropyl-6-(difluoromethyl)-2-sulfanylpyridine-3-carbonitrile, 4-cyclopropyl-6-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile, 4-cyclopropyl-6-difluoromethyl-2-mercaptonicotinonitrile
| Molecular Formula | C10H8F2N2S |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 3.43087 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.03763 |
| Heavy Atoms | 15 |
| Complexity | 483.17624 |
Chemical Identifiers
| CAS Number | 832741-18-1 |
|---|---|
| SMILES | C1CC1C2=C(C(=S)NC(=C2)C(F)F)C#N |
Product Overview
4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile (CAS 832741-18-1), with molecular formula C10H8F2N2S and molecular weight 226.04 g/mol. IUPAC: 4-cyclopropyl-6-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile
Property Insights of 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile
The XLogP value of 3.43087 indicates that 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile 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 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile?
The CAS number of 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile is 832741-18-1.
What is the molecular formula of 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile?
The molecular formula of 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile is C10H8F2N2S.
What is the molecular weight of 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile?
The molecular weight of 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile is 226.04 g/mol.
Where can I buy 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile?
You can request a quote for 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclopropyl-6-(difluoromethyl)-2-mercaptonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.