Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-
TL;DR: Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- (CAS 101756-30-3) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-ethoxy-2,5-dimethyloxan-2-yl)methylidene]propanedinitrile
Also Known As: NCI60_021998, (2,5-Dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylenemalononitrile, 2,5-Dimethyl-6-ethoxy-tetrahydropyran-2-yl-methylenemalononitrile, MALONONITRILE, (2,5-DIMETHYL-6-ETHOXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYLENE-, 2-[(6-ethoxy-2,5-dimethyloxan-2-yl)methylidene]propanedinitrile
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 101756-30-3 |
|---|---|
| SMILES | CCOC1C(CCC(O1)(C)C=C(C#N)C#N)C |
| InChIKey | IQUJVBXHKPNPIG-UHFFFAOYSA-N |
Product Overview
Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- (CAS 101756-30-3), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 2-[(6-ethoxy-2,5-dimethyloxan-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-
Property Insights of Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-. Following Lipinski's Rule of Five, Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- has 0 hydrogen bond donor(s) and 4 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 Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-?
The CAS number of Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- is 101756-30-3.
What is the molecular formula of Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-?
The molecular formula of Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- is C13H18N2O2.
What is the molecular weight of Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-?
The molecular weight of Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- is 234.14 g/mol.
Where can I buy Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-?
You can request a quote for Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.