3,3-Oxetanediacetonitrile
TL;DR: 3,3-Oxetanediacetonitrile (CAS 22030-97-3) 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.
2-[3-(cyanomethyl)oxetan-3-yl]acetonitrile
Also Known As: 3,3-Oxetanediacetonitrile, 3,3-bis-cyanomethyl-oxetane, 2-[3-(cyanomethyl)oxetan-3-yl]acetonitrile, 2,2'-(Oxetane-3,3-diyl)diacetonitrile, 2-(3-(Cyanomethyl)oxetan-3-yl)acetonitrile
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 22030-97-3 |
|---|---|
| SMILES | C1C(CO1)(CC#N)CC#N |
| InChIKey | SAOCWWDNJPTWOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Oxetanediacetonitrile (CAS 22030-97-3), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: 2-[3-(cyanomethyl)oxetan-3-yl]acetonitrile.
Chemical Property Profile of 3,3-Oxetanediacetonitrile
Property Insights of 3,3-Oxetanediacetonitrile
The XLogP value of -0.7 indicates that 3,3-Oxetanediacetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, 3,3-Oxetanediacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Oxetanediacetonitrile has 0 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 3,3-Oxetanediacetonitrile?
The CAS number of 3,3-Oxetanediacetonitrile is 22030-97-3.
What is the molecular formula of 3,3-Oxetanediacetonitrile?
The molecular formula of 3,3-Oxetanediacetonitrile is C7H8N2O.
What is the molecular weight of 3,3-Oxetanediacetonitrile?
The molecular weight of 3,3-Oxetanediacetonitrile is 136.06 g/mol.
Where can I buy 3,3-Oxetanediacetonitrile?
You can request a quote for 3,3-Oxetanediacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Oxetanediacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Oxetanediacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.