![1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile structure](/static/products/893/893700-36-2.png)
1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile (CAS 893700-36-2) is a chemical compound with molecular formula C20H12N4O4 and molecular weight 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1,3-benzodioxol-5-ylmethyl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C20H12N4O4 |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 1.65808 |
| Topological Polar Surface Area | 98.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.08585 |
| Heavy Atoms | 28 |
| Complexity | 1428.8444 |
Chemical Identifiers
| CAS Number | 893700-36-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C4=C(C=C(C3=O)C#N)C(=O)N5C=CC=CC5=N4 |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile (CAS 893700-36-2), with molecular formula C20H12N4O4 and molecular weight 372.09 g/mol. IUPAC: 7-(1,3-benzodioxol-5-ylmethyl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
The XLogP value of 1.65808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile. The TPSA of 98.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile has 0 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 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile is 893700-36-2.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile is C20H12N4O4.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile is 372.09 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.