![(E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide structure](/static/products/847/847339-27-9.png)
(E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide
TL;DR: (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide (CAS 847339-27-9) is a chemical compound with molecular formula C25H21Cl2N5O2 and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-(5-cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)benzamide
Also Known As: (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 2,4-dichloro-N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
| Molecular Formula | C25H21Cl2N5O2 |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 5.0674 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.10724 |
| Heavy Atoms | 34 |
| Complexity | 1612.7242 |
Chemical Identifiers
| CAS Number | 847339-27-9 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
(E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide (CAS 847339-27-9), with molecular formula C25H21Cl2N5O2 and molecular weight 493.11 g/mol. IUPAC: 2,4-dichloro-N-(5-cyano-11-methyl-2-oxo-7-pentyl-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)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide
Property Insights of (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide
The XLogP value of 5.0674 indicates that (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-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)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide. Following Lipinski's Rule of Five, (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
The CAS number of (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide is 847339-27-9.
What is the molecular formula of (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
The molecular formula of (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide is C25H21Cl2N5O2.
What is the molecular weight of (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
The molecular weight of (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide is 493.11 g/mol.
Where can I buy (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
You can request a quote for (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-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)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2,4-dichloro-N-(3-cyano-10-methyl-5-oxo-1-pentyl-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.