3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile
TL;DR: 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile (CAS 338406-49-8) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile
Also Known As: 3-amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile, 3-amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)propanenitrile, 3F-949
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | -0.05102 |
| Topological Polar Surface Area | 102.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 367.40674 |
Chemical Identifiers
| CAS Number | 338406-49-8 |
|---|---|
| SMILES | CC1(OC(=O)C(=C(CC#N)N)C(=O)O1)C |
Product Overview
3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile (CAS 338406-49-8), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 3-amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile.
Chemical Property Profile of 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile
Property Insights of 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile
The XLogP value of -0.05102 indicates that 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile. Following Lipinski's Rule of Five, 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile has 1 hydrogen bond donor(s) and 6 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-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile?
The CAS number of 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile is 338406-49-8.
What is the molecular formula of 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile?
The molecular formula of 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile is C9H10N2O4.
What is the molecular weight of 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile?
The molecular weight of 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile is 210.06 g/mol.
Where can I buy 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile?
You can request a quote for 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.