BIM-0044055.P001
TL;DR: BIM-0044055.P001 (CAS 312696-91-6) is a chemical compound with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(2-chloro-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: BIM-0044055.P001, 2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, phenethyl 4-(2-chloro-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate, 2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5-trihydropyridine -3-carboxylate, 2-phenylethyl 4-{2-chloro-5-nitrophenyl}-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
| Molecular Formula | C21H19ClN2O5 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 3.9116 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.09824 |
| Heavy Atoms | 29 |
| Complexity | 987.8209 |
Chemical Identifiers
| CAS Number | 312696-91-6 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OCCC3=CC=CC=C3 |
Product Overview
BIM-0044055.P001 (CAS 312696-91-6), with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol. IUPAC: 2-phenylethyl 4-(2-chloro-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of BIM-0044055.P001
Property Insights of BIM-0044055.P001
The XLogP value of 3.9116 indicates that BIM-0044055.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0044055.P001. Following Lipinski's Rule of Five, BIM-0044055.P001 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 BIM-0044055.P001?
The CAS number of BIM-0044055.P001 is 312696-91-6.
What is the molecular formula of BIM-0044055.P001?
The molecular formula of BIM-0044055.P001 is C21H19ClN2O5.
What is the molecular weight of BIM-0044055.P001?
The molecular weight of BIM-0044055.P001 is 414.10 g/mol.
Where can I buy BIM-0044055.P001?
You can request a quote for BIM-0044055.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044055.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044055.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.