(3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide
TL;DR: (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide (CAS 127139-22-4) is a chemical compound with molecular formula C5H8N4O and molecular weight 140.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide
Also Known As: NCI60_014720, 4-cyanoimino-3-methylperhydro-1,3,5-oxadiazine, (3-methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide, 3-Methyl-3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide, (3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)cyanamide
| Molecular Formula | C5H8N4O |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.06981 |
| Heavy Atoms | 10 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 127139-22-4 |
|---|---|
| SMILES | CN1COCN=C1NC#N |
| InChIKey | ZQRRDAGXEAOZLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide (CAS 127139-22-4), with molecular formula C5H8N4O and molecular weight 140.07 g/mol. IUPAC: (3-methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide.
Chemical Property Profile of (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide
Property Insights of (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide
The XLogP value of -0.7 indicates that (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide. Following Lipinski's Rule of Five, (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide 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-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide?
The CAS number of (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide is 127139-22-4.
What is the molecular formula of (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide?
The molecular formula of (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide is C5H8N4O.
What is the molecular weight of (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide?
The molecular weight of (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide is 140.07 g/mol.
Where can I buy (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide?
You can request a quote for (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.