AB00416204-03
TL;DR: AB00416204-03 (CAS 847398-89-4) is a chemical compound with molecular formula C21H21BrN4O3 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
Also Known As: AB00416204-03, 3-(4-bromophenyl)-6-(4-(2-methoxyphenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione, F0662-0809, 3-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione, 3-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C21H21BrN4O3 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 2.6235 |
| Topological Polar Surface Area | 70.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.0797 |
| Heavy Atoms | 29 |
| Complexity | 1084.5104 |
Chemical Identifiers
| CAS Number | 847398-89-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Br |
Product Overview
AB00416204-03 (CAS 847398-89-4), with molecular formula C21H21BrN4O3 and molecular weight 456.08 g/mol. IUPAC: 3-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB00416204-03
Property Insights of AB00416204-03
The XLogP value of 2.6235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00416204-03. The TPSA of 70.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00416204-03. Following Lipinski's Rule of Five, AB00416204-03 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 AB00416204-03?
The CAS number of AB00416204-03 is 847398-89-4.
What is the molecular formula of AB00416204-03?
The molecular formula of AB00416204-03 is C21H21BrN4O3.
What is the molecular weight of AB00416204-03?
The molecular weight of AB00416204-03 is 456.08 g/mol.
Where can I buy AB00416204-03?
You can request a quote for AB00416204-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00416204-03?
Yes, KEHONG BIO provides custom synthesis services for AB00416204-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.