BAS 00161671
TL;DR: BAS 00161671 (CAS 302561-46-2) is a chemical compound with molecular formula C18H23BrN2O3 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00161671, hexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A1044/0048925, hexyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, hexyl 6-(2-bromophenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C18H23BrN2O3 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 4.2005 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.0892 |
| Heavy Atoms | 24 |
| Complexity | 642.90594 |
Chemical Identifiers
| CAS Number | 302561-46-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Br)C |
Product Overview
BAS 00161671 (CAS 302561-46-2), with molecular formula C18H23BrN2O3 and molecular weight 394.09 g/mol. IUPAC: hexyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00161671
Property Insights of BAS 00161671
The XLogP value of 4.2005 indicates that BAS 00161671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00161671. Following Lipinski's Rule of Five, BAS 00161671 has 2 hydrogen bond donor(s) and 3 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 00161671?
The CAS number of BAS 00161671 is 302561-46-2.
What is the molecular formula of BAS 00161671?
The molecular formula of BAS 00161671 is C18H23BrN2O3.
What is the molecular weight of BAS 00161671?
The molecular weight of BAS 00161671 is 394.09 g/mol.
Where can I buy BAS 00161671?
You can request a quote for BAS 00161671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00161671?
Yes, KEHONG BIO provides custom synthesis services for BAS 00161671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.