3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺
TL;DR: 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 (CAS 89049-29-6) is a chemical compound with molecular formula C4H6N4O and molecular weight 126.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺
3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide
Also Known As: 3,6-Dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide
| Molecular Formula | C4H6N4O |
|---|---|
| Molecular Weight | 126.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.05416 |
| Heavy Atoms | 9 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 89049-29-6 |
|---|---|
| SMILES | C1NC(=NCO1)NC#N |
| InChIKey | XGIDLJAZGJVLOA-UHFFFAOYSA-N |
Product Overview
3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 (CAS 89049-29-6), with molecular formula C4H6N4O and molecular weight 126.05 g/mol. IUPAC: 3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide.
Chemical Property Profile of 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺
Property Insights of 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺
The XLogP value of -0.8 indicates that 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺. Following Lipinski's Rule of Five, 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 has 2 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 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺?
The CAS number of 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 is 89049-29-6.
What is the molecular formula of 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺?
The molecular formula of 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 is C4H6N4O.
What is the molecular weight of 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺?
The molecular weight of 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 is 126.05 g/mol.
Where can I buy 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺?
You can request a quote for 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二氢-2H-1,3,5-噁二嗪-4-基氰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.