C25H17BrN4O3
TL;DR: C25H17BrN4O3 (CAS 620105-17-1) is a chemical compound with molecular formula C25H17BrN4O3 and molecular weight 500.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
Also Known As: (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide, (E)-3-(2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyano-N-(p-tolyl)acrylamide, (E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
| Molecular Formula | C25H17BrN4O3 |
|---|---|
| Molecular Weight | 500.05 g/mol |
| LogP | 5.1034 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.0484 |
| Heavy Atoms | 33 |
| Complexity | 1467.297 |
Chemical Identifiers
| CAS Number | 620105-17-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)Br)/C#N |
Product Overview
C25H17BrN4O3 (CAS 620105-17-1), with molecular formula C25H17BrN4O3 and molecular weight 500.05 g/mol. IUPAC: (E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide.
Chemical Property Profile of C25H17BrN4O3
Property Insights of C25H17BrN4O3
The XLogP value of 5.1034 indicates that C25H17BrN4O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H17BrN4O3. Following Lipinski's Rule of Five, C25H17BrN4O3 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H17BrN4O3?
The CAS number of C25H17BrN4O3 is 620105-17-1.
What is the molecular formula of C25H17BrN4O3?
The molecular formula of C25H17BrN4O3 is C25H17BrN4O3.
What is the molecular weight of C25H17BrN4O3?
The molecular weight of C25H17BrN4O3 is 500.05 g/mol.
Where can I buy C25H17BrN4O3?
You can request a quote for C25H17BrN4O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H17BrN4O3?
Yes, KEHONG BIO provides custom synthesis services for C25H17BrN4O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.