C26H25ClN6O2
TL;DR: C26H25ClN6O2 (CAS 796876-99-8) is a chemical compound with molecular formula C26H25ClN6O2 and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide
Also Known As: (2E)-3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide, (E)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide, (E)-N-allyl-3-(2-(4-(3-chlorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide
| Molecular Formula | C26H25ClN6O2 |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 3.1921 |
| Topological Polar Surface Area | 93.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.17276 |
| Heavy Atoms | 35 |
| Complexity | 1413.5897 |
Chemical Identifiers
| CAS Number | 796876-99-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCC=C)N3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
C26H25ClN6O2 (CAS 796876-99-8), with molecular formula C26H25ClN6O2 and molecular weight 488.17 g/mol. IUPAC: (E)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of C26H25ClN6O2
Property Insights of C26H25ClN6O2
The XLogP value of 3.1921 indicates that C26H25ClN6O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.74 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H25ClN6O2. Following Lipinski's Rule of Five, C26H25ClN6O2 has 1 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 C26H25ClN6O2?
The CAS number of C26H25ClN6O2 is 796876-99-8.
What is the molecular formula of C26H25ClN6O2?
The molecular formula of C26H25ClN6O2 is C26H25ClN6O2.
What is the molecular weight of C26H25ClN6O2?
The molecular weight of C26H25ClN6O2 is 488.17 g/mol.
Where can I buy C26H25ClN6O2?
You can request a quote for C26H25ClN6O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H25ClN6O2?
Yes, KEHONG BIO provides custom synthesis services for C26H25ClN6O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.