C20H15BrN4O3
TL;DR: C20H15BrN4O3 (CAS 620111-36-6) is a chemical compound with molecular formula C20H15BrN4O3 and molecular weight 438.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(4-bromophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide
Also Known As: (2E)-3-[2-(4-bromophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide, (E)-3-(2-(4-bromophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyano-N-methylacrylamide, (E)-3-[2-(4-bromophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide
| Molecular Formula | C20H15BrN4O3 |
|---|---|
| Molecular Weight | 438.03 g/mol |
| LogP | 3.2107 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.03275 |
| Heavy Atoms | 28 |
| Complexity | 1191.0269 |
Chemical Identifiers
| CAS Number | 620111-36-6 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC)OC3=CC=C(C=C3)Br |
Product Overview
C20H15BrN4O3 (CAS 620111-36-6), with molecular formula C20H15BrN4O3 and molecular weight 438.03 g/mol. IUPAC: (E)-3-[2-(4-bromophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide.
Chemical Property Profile of C20H15BrN4O3
Property Insights of C20H15BrN4O3
The XLogP value of 3.2107 indicates that C20H15BrN4O3 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 C20H15BrN4O3. Following Lipinski's Rule of Five, C20H15BrN4O3 has 1 hydrogen bond donor(s) and 5 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 C20H15BrN4O3?
The CAS number of C20H15BrN4O3 is 620111-36-6.
What is the molecular formula of C20H15BrN4O3?
The molecular formula of C20H15BrN4O3 is C20H15BrN4O3.
What is the molecular weight of C20H15BrN4O3?
The molecular weight of C20H15BrN4O3 is 438.03 g/mol.
Where can I buy C20H15BrN4O3?
You can request a quote for C20H15BrN4O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H15BrN4O3?
Yes, KEHONG BIO provides custom synthesis services for C20H15BrN4O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.