1-Oxaspiro(2.4)heptane-2-carbonitrile
TL;DR: 1-Oxaspiro(2.4)heptane-2-carbonitrile (CAS 36929-35-8) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxaspiro[2.4]heptane-2-carbonitrile
Also Known As: 1-Oxaspiro[2.4]heptane-2-carbonitrile, 2-Cyan-1-oxaspiro<2.4>heptan, 1-oxaspiro2.4heptane-2-carbonitrile, 1-Oxaspiro(2.4)heptane-2-carbonitrile, 2-oxaspiro[2.4]heptane-1-carbonitrile
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 36929-35-8 |
|---|---|
| SMILES | C1CCC2(C1)C(O2)C#N |
| InChIKey | GFCYZQVCDGGQOP-UHFFFAOYSA-N |
Product Overview
1-Oxaspiro(2.4)heptane-2-carbonitrile (CAS 36929-35-8), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 1-oxaspiro[2.4]heptane-2-carbonitrile.
Chemical Property Profile of 1-Oxaspiro(2.4)heptane-2-carbonitrile
Property Insights of 1-Oxaspiro(2.4)heptane-2-carbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxaspiro(2.4)heptane-2-carbonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, 1-Oxaspiro(2.4)heptane-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxaspiro(2.4)heptane-2-carbonitrile has 0 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 1-Oxaspiro(2.4)heptane-2-carbonitrile?
The CAS number of 1-Oxaspiro(2.4)heptane-2-carbonitrile is 36929-35-8.
What is the molecular formula of 1-Oxaspiro(2.4)heptane-2-carbonitrile?
The molecular formula of 1-Oxaspiro(2.4)heptane-2-carbonitrile is C7H9NO.
What is the molecular weight of 1-Oxaspiro(2.4)heptane-2-carbonitrile?
The molecular weight of 1-Oxaspiro(2.4)heptane-2-carbonitrile is 123.07 g/mol.
Where can I buy 1-Oxaspiro(2.4)heptane-2-carbonitrile?
You can request a quote for 1-Oxaspiro(2.4)heptane-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxaspiro(2.4)heptane-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxaspiro(2.4)heptane-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.