![2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile structure](/static/products/879/879956-55-5.png)
2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
TL;DR: 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile (CAS 879956-55-5) is a chemical compound with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-2,6-dioxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile, 8-methyl-2,5-bis(oxidanylidene)-1-(oxolan-2-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile, 8-methyl-2,5-dioxo-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 8-methyl-2,5-dioxo-1-(2-oxolanylmethyl)-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarbonitrile, 8-methyl-2,5-dioxo-1-(oxolan-2-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
| Molecular Formula | C18H16N4O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.12225 |
| Heavy Atoms | 25 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 879956-55-5 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=O)N3CC4CCCO4)C#N)C=C1 |
| InChIKey | IOVQZFIHZTVEEM-UHFFFAOYSA-N |
Product Overview
2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile (CAS 879956-55-5), with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol. IUPAC: 13-methyl-2,6-dioxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
Property Insights of 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
The CAS number of 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile is 879956-55-5.
What is the molecular formula of 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
The molecular formula of 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile is C18H16N4O3.
What is the molecular weight of 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
The molecular weight of 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile is 336.12 g/mol.
Where can I buy 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
You can request a quote for 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]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 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-diketo-8-methyl-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.