![1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile structure](/static/products/3075/307553-04-4.webp)
1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile
TL;DR: 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile (CAS 307553-04-4) is a chemical compound with molecular formula C17H17N5O and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: A2063/0086780, 1-butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile, 1-butyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-butyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide, 1-butyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbonitrile
| Molecular Formula | C17H17N5O |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.10887 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.1433 |
| Heavy Atoms | 23 |
| Complexity | 1068.6923 |
Chemical Identifiers
| CAS Number | 307553-04-4 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=C(C=CC3=N2)C |
Product Overview
1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile (CAS 307553-04-4), with molecular formula C17H17N5O and molecular weight 307.14 g/mol. IUPAC: 7-butyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile
Property Insights of 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile
The XLogP value of 2.10887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile 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 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile?
The CAS number of 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile is 307553-04-4.
What is the molecular formula of 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile?
The molecular formula of 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile is C17H17N5O.
What is the molecular weight of 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile?
The molecular weight of 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile is 307.14 g/mol.
Where can I buy 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile?
You can request a quote for 1-Butyl-2-imino-8-methyl-5-oxodipyrido[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 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.