![(E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide structure](/static/products/577/577791-57-2.png)
(E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide
TL;DR: (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide (CAS 577791-57-2) is a chemical compound with molecular formula C24H20BrN5O2 and molecular weight 489.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)benzamide
Also Known As: (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 2-bromo-N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
| Molecular Formula | C24H20BrN5O2 |
|---|---|
| Molecular Weight | 489.08 g/mol |
| LogP | 4.133 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.08005 |
| Heavy Atoms | 32 |
| Complexity | 1542.8389 |
Chemical Identifiers
| CAS Number | 577791-57-2 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CC=C3Br)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
(E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide (CAS 577791-57-2), with molecular formula C24H20BrN5O2 and molecular weight 489.08 g/mol. IUPAC: 2-bromo-N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)benzamide.
Chemical Property Profile of (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide
Property Insights of (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide
The XLogP value of 4.133 indicates that (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide. Following Lipinski's Rule of Five, (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide has 0 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 (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
The CAS number of (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide is 577791-57-2.
What is the molecular formula of (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
The molecular formula of (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide is C24H20BrN5O2.
What is the molecular weight of (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
The molecular weight of (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide is 489.08 g/mol.
Where can I buy (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
You can request a quote for (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-bromo-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.