![5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE structure](/static/products/1159/1159976-72-3.webp)
5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE
TL;DR: 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE (CAS 1159976-72-3) is a chemical compound with molecular formula C19H13N5O3 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-oxo-1-phenylpyrimidine-4-carbonitrile
Also Known As: 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE, 6-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-oxo-1-phenylpyrimidine-4-carbonitrile, 6-amino-5-(1,3-benzodioxol-5-ylmethyleneamino)-2-oxo-1-phenyl-pyrimidine-4-carbonitrile, 6-amino-5-(benzo[1,3]dioxol-5-ylmethylideneamino)-2-oxo-1-phenyl-pyrimidine-4-carbonitrile, 5-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
| Molecular Formula | C19H13N5O3 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 2.16568 |
| Topological Polar Surface Area | 115.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.10184 |
| Heavy Atoms | 27 |
| Complexity | 1146.4872 |
Chemical Identifiers
| CAS Number | 1159976-72-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=C(N(C(=O)N=C3C#N)C4=CC=CC=C4)N |
Product Overview
5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE (CAS 1159976-72-3), with molecular formula C19H13N5O3 and molecular weight 359.10 g/mol. IUPAC: 6-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-oxo-1-phenylpyrimidine-4-carbonitrile.
Chemical Property Profile of 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE
Property Insights of 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE
The XLogP value of 2.16568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE. The TPSA of 115.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE. Following Lipinski's Rule of Five, 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE has 1 hydrogen bond donor(s) and 7 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 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE?
The CAS number of 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE is 1159976-72-3.
What is the molecular formula of 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE?
The molecular formula of 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE is C19H13N5O3.
What is the molecular weight of 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE?
The molecular weight of 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE is 359.10 g/mol.
Where can I buy 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE?
You can request a quote for 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-AZA-2-BENZO[3,4-D]1,3-DIOXOLEN-5-YLVINYL)-4-IMINO-2-OXO-3-PHENYL-1H-1,3-DIAZINE-6-CARBONITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.