BIM-0042123.P001
TL;DR: BIM-0042123.P001 (CAS 299454-54-9) is a chemical compound with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BIM-0042123.P001, butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pentahydro quinoline-3-carboxylate, butyl 4-{4-hydroxy-3-nitrophenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C27H28N2O6 |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 5.0053 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.19473 |
| Heavy Atoms | 35 |
| Complexity | 1231.4875 |
Chemical Identifiers
| CAS Number | 299454-54-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CC=C4)C |
Product Overview
BIM-0042123.P001 (CAS 299454-54-9), with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol. IUPAC: butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BIM-0042123.P001
Property Insights of BIM-0042123.P001
The XLogP value of 5.0053 indicates that BIM-0042123.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042123.P001. Following Lipinski's Rule of Five, BIM-0042123.P001 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0042123.P001?
The CAS number of BIM-0042123.P001 is 299454-54-9.
What is the molecular formula of BIM-0042123.P001?
The molecular formula of BIM-0042123.P001 is C27H28N2O6.
What is the molecular weight of BIM-0042123.P001?
The molecular weight of BIM-0042123.P001 is 476.19 g/mol.
Where can I buy BIM-0042123.P001?
You can request a quote for BIM-0042123.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042123.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042123.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.