BAS 00689470
TL;DR: BAS 00689470 (CAS 330453-76-4) is a chemical compound with molecular formula C18H15Br2N3O2 and molecular weight 462.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromophenyl)-N-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689470, 4-(3-bromophenyl)-N-(4-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1050-0451, 4-(3-bromophenyl)-N-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C18H15Br2N3O2 |
|---|---|
| Molecular Weight | 462.95 g/mol |
| LogP | 4.4782 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.9531 |
| Heavy Atoms | 25 |
| Complexity | 862.8798 |
Chemical Identifiers
| CAS Number | 330453-76-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
BAS 00689470 (CAS 330453-76-4), with molecular formula C18H15Br2N3O2 and molecular weight 462.95 g/mol. IUPAC: 4-(3-bromophenyl)-N-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689470
Property Insights of BAS 00689470
The XLogP value of 4.4782 indicates that BAS 00689470 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00689470. Following Lipinski's Rule of Five, BAS 00689470 has 3 hydrogen bond donor(s) and 2 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 BAS 00689470?
The CAS number of BAS 00689470 is 330453-76-4.
What is the molecular formula of BAS 00689470?
The molecular formula of BAS 00689470 is C18H15Br2N3O2.
What is the molecular weight of BAS 00689470?
The molecular weight of BAS 00689470 is 462.95 g/mol.
Where can I buy BAS 00689470?
You can request a quote for BAS 00689470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689470?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.