Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile
TL;DR: Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile (CAS 5152-54-5) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2,2-dimethyloxane-4-carbonitrile
Also Known As: 2,2-DIMETHYLPROPANE-D12, 4-hydroxy-2,2-dimethyloxane-4-carbonitrile, 2,2-DIMETHYL-4-CYANOTETRAHYDROPYRAN-4-OL, Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile, 4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-carbonitrile
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 5152-54-5 |
|---|---|
| SMILES | CC1(CC(CCO1)(C#N)O)C |
| InChIKey | SCEDXLLSCMYJNS-UHFFFAOYSA-N |
Product Overview
Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile (CAS 5152-54-5), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 4-hydroxy-2,2-dimethyloxane-4-carbonitrile.
Chemical Property Profile of Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile
Property Insights of Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile has 1 hydrogen bond donor(s) and 3 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 Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile?
The CAS number of Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile is 5152-54-5.
What is the molecular formula of Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile?
The molecular formula of Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile is C8H13NO2.
What is the molecular weight of Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile?
The molecular weight of Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile is 155.09 g/mol.
Where can I buy Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile?
You can request a quote for Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-4-hydroxy-2,2-dimethyl-2H-pyran-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.