BIM-0044259.P001
TL;DR: BIM-0044259.P001 (CAS 312696-95-0) is a chemical compound with molecular formula C21H20BrNO3 and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: BIM-0044259.P001, 2-phenylethyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, A2436/0103239, 2-phenylethyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5-trihydropyridine-3-carbox ylate, phenethyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
| Molecular Formula | C21H20BrNO3 |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 4.1125 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.06265 |
| Heavy Atoms | 26 |
| Complexity | 845.3445 |
Chemical Identifiers
| CAS Number | 312696-95-0 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=CC=CC=C2Br)C(=O)OCCC3=CC=CC=C3 |
Product Overview
BIM-0044259.P001 (CAS 312696-95-0), with molecular formula C21H20BrNO3 and molecular weight 413.06 g/mol. IUPAC: 2-phenylethyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of BIM-0044259.P001
Property Insights of BIM-0044259.P001
The XLogP value of 4.1125 indicates that BIM-0044259.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BIM-0044259.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0044259.P001 has 1 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 BIM-0044259.P001?
The CAS number of BIM-0044259.P001 is 312696-95-0.
What is the molecular formula of BIM-0044259.P001?
The molecular formula of BIM-0044259.P001 is C21H20BrNO3.
What is the molecular weight of BIM-0044259.P001?
The molecular weight of BIM-0044259.P001 is 413.06 g/mol.
Where can I buy BIM-0044259.P001?
You can request a quote for BIM-0044259.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044259.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044259.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.