蛇葡萄素
TL;DR: 蛇葡萄素 (CAS 27200-12-0) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蛇葡萄素
6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, methyloxotetrahydropyridinecarbonitrile, 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, J1.413.499I
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 27200-12-0 |
|---|---|
| SMILES | CC1=C(CCC(=O)N1)C#N |
| InChIKey | JMOQBKDWJOUOAP-UHFFFAOYSA-N |
Product Overview
蛇葡萄素 (CAS 27200-12-0), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 蛇葡萄素
Property Insights of 蛇葡萄素
The XLogP value of -0.2 indicates that 蛇葡萄素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.9 Ų, 蛇葡萄素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蛇葡萄素 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 蛇葡萄素?
The CAS number of 蛇葡萄素 is 27200-12-0.
What is the molecular formula of 蛇葡萄素?
The molecular formula of 蛇葡萄素 is C7H8N2O.
What is the molecular weight of 蛇葡萄素?
The molecular weight of 蛇葡萄素 is 136.06 g/mol.
Where can I buy 蛇葡萄素?
You can request a quote for 蛇葡萄素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蛇葡萄素?
Yes, KEHONG BIO provides custom synthesis services for 蛇葡萄素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.