![(E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one structure](/static/products/896/896849-83-5.png)
(E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one
TL;DR: (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one (CAS 896849-83-5) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Also Known As: (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one, (6E)-6-[(4-dimethylaminophenyl)methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one, (6E)-6-[4-(dimethylamino)benzylidene]-7-imino-2-methyl-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
| Molecular Formula | C16H16N4O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.20297 |
| Topological Polar Surface Area | 68.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.12732 |
| Heavy Atoms | 22 |
| Complexity | 741.91425 |
Chemical Identifiers
| CAS Number | 896849-83-5 |
|---|---|
| SMILES | CC1=CC2=NC(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C(=N)N2O1 |
Product Overview
(E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one (CAS 896849-83-5), with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol. IUPAC: (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one.
Chemical Property Profile of (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one
Property Insights of (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one
The XLogP value of 2.20297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one. The TPSA of 68.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one. Following Lipinski's Rule of Five, (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one 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 (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one?
The CAS number of (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one is 896849-83-5.
What is the molecular formula of (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one?
The molecular formula of (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one is C16H16N4O2.
What is the molecular weight of (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one?
The molecular weight of (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one is 296.13 g/mol.
Where can I buy (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one?
You can request a quote for (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(4-(dimethylamino)benzylidene)-7-imino-2-methyl-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.