![3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile structure](/static/products/4013/40131-43-9.webp)
3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
TL;DR: 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (CAS 40131-43-9) is a chemical compound with molecular formula C9H14N2O and molecular weight 166.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
Also Known As: 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile, 8-Azabicyclo[3.2.1]octane-3-carbonitrile, 3-hydroxy-8-methyl-, 8-Azabicyclo[3.2.1]octane-3-carbonitrile,3-hydroxy-8-methyl, 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile #
| Molecular Formula | C9H14N2O |
|---|---|
| Molecular Weight | 166.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.11061 |
| Heavy Atoms | 12 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 40131-43-9 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)(C#N)O |
| InChIKey | WSYMOTWLPRNFID-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (CAS 40131-43-9), with molecular formula C9H14N2O and molecular weight 166.11 g/mol. IUPAC: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.
Chemical Property Profile of 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
Property Insights of 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile. With a topological polar surface area (TPSA) of 47.3 Ų, 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-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 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The CAS number of 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is 40131-43-9.
What is the molecular formula of 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The molecular formula of 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is C9H14N2O.
What is the molecular weight of 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The molecular weight of 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is 166.11 g/mol.
Where can I buy 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
You can request a quote for 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.