![2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile structure](/static/products/879/879955-16-5.png)
2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile
TL;DR: 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile (CAS 879955-16-5) is a chemical compound with molecular formula C16H9N5O2S and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-2,6-dioxo-7-(1,3-thiazol-2-yl)-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-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile, 8-methyl-2,5-dioxo-1-(2-thiazolyl)-3-dipyrido[1,2-e:4'',3''-f]pyrimidinecarbonitrile, 8-methyl-2,5-bis(oxidanylidene)-1-(1,3-thiazol-2-yl)dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile, 8-methyl-2,5-dioxo-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 8-methyl-2,5-dioxo-1-(1,3-thiazol-2-yl)dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile
| Molecular Formula | C16H9N5O2S |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.0477 |
| Heavy Atoms | 24 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 879955-16-5 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=O)N3C4=NC=CS4)C#N)C=C1 |
| InChIKey | GMABSQHMTMQRTP-UHFFFAOYSA-N |
Product Overview
2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile (CAS 879955-16-5), with molecular formula C16H9N5O2S and molecular weight 335.05 g/mol. IUPAC: 13-methyl-2,6-dioxo-7-(1,3-thiazol-2-yl)-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-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile
Property Insights of 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]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 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile?
The CAS number of 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile is 879955-16-5.
What is the molecular formula of 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile?
The molecular formula of 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile is C16H9N5O2S.
What is the molecular weight of 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile?
The molecular weight of 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile is 335.05 g/mol.
Where can I buy 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile?
You can request a quote for 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-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-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.