(2-Oxazolidinylidene)malononitrile
TL;DR: (2-Oxazolidinylidene)malononitrile (CAS 2733-51-9) is a chemical compound with molecular formula C6H5N3O and molecular weight 135.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-oxazolidin-2-ylidene)propanedinitrile
Also Known As: (2-Oxazolidinylidene)malononitrile, Oxazolidine-2-ylidenemalononitrile, [Oxazolidin-2-ylidene]malononitrile, (Oxazolidine-2-ylidene)malononitrile, 2-(1,3-oxazolidin-2-ylidene)propanedinitrile
| Molecular Formula | C6H5N3O |
|---|---|
| Molecular Weight | 135.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.04326 |
| Heavy Atoms | 10 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 2733-51-9 |
|---|---|
| SMILES | C1COC(=C(C#N)C#N)N1 |
| InChIKey | LDCGAHZJFZTBPD-UHFFFAOYSA-N |
Product Overview
(2-Oxazolidinylidene)malononitrile (CAS 2733-51-9), with molecular formula C6H5N3O and molecular weight 135.04 g/mol. IUPAC: 2-(1,3-oxazolidin-2-ylidene)propanedinitrile.
Chemical Property Profile of (2-Oxazolidinylidene)malononitrile
Property Insights of (2-Oxazolidinylidene)malononitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxazolidinylidene)malononitrile. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Oxazolidinylidene)malononitrile. Following Lipinski's Rule of Five, (2-Oxazolidinylidene)malononitrile has 1 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 (2-Oxazolidinylidene)malononitrile?
The CAS number of (2-Oxazolidinylidene)malononitrile is 2733-51-9.
What is the molecular formula of (2-Oxazolidinylidene)malononitrile?
The molecular formula of (2-Oxazolidinylidene)malononitrile is C6H5N3O.
What is the molecular weight of (2-Oxazolidinylidene)malononitrile?
The molecular weight of (2-Oxazolidinylidene)malononitrile is 135.04 g/mol.
Where can I buy (2-Oxazolidinylidene)malononitrile?
You can request a quote for (2-Oxazolidinylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxazolidinylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxazolidinylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.