BIM-0004842.P001
TL;DR: BIM-0004842.P001 (CAS 5107-47-1) is a chemical compound with molecular formula C17H17BrCl2O4 and molecular weight 433.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-bromophenyl)-2-(2,2-dichloroethenyl)-4-hydroxy-6-oxocyclohexane-1-carboxylate
Also Known As: BIM-0004842.P001, J1.056.218J, 4-(3-Bromophenyl)-2-oxo-4-hydroxy-6-(2,2-dichlorovinyl)cyclohexanecarboxylic acid ethyl ester, ethyl 4-(3-bromophenyl)-2-(2,2-dichloroethenyl)-4-hydroxy-6-oxocyclohexane-1-carboxylate, ethyl 4-(3-bromophenyl)-2-(2,2-dichlorovinyl)-4-hydroxy-6-oxocyclohexanecarboxylate
| Molecular Formula | C17H17BrCl2O4 |
|---|---|
| Molecular Weight | 433.97 g/mol |
| LogP | 4.1141 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.96872 |
| Heavy Atoms | 24 |
| Complexity | 672.3093 |
Chemical Identifiers
| CAS Number | 5107-47-1 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(CC1=O)(C2=CC(=CC=C2)Br)O)C=C(Cl)Cl |
Product Overview
BIM-0004842.P001 (CAS 5107-47-1), with molecular formula C17H17BrCl2O4 and molecular weight 433.97 g/mol. IUPAC: ethyl 4-(3-bromophenyl)-2-(2,2-dichloroethenyl)-4-hydroxy-6-oxocyclohexane-1-carboxylate.
Chemical Property Profile of BIM-0004842.P001
Property Insights of BIM-0004842.P001
The XLogP value of 4.1141 indicates that BIM-0004842.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0004842.P001. Following Lipinski's Rule of Five, BIM-0004842.P001 has 1 hydrogen bond donor(s) and 4 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-0004842.P001?
The CAS number of BIM-0004842.P001 is 5107-47-1.
What is the molecular formula of BIM-0004842.P001?
The molecular formula of BIM-0004842.P001 is C17H17BrCl2O4.
What is the molecular weight of BIM-0004842.P001?
The molecular weight of BIM-0004842.P001 is 433.97 g/mol.
Where can I buy BIM-0004842.P001?
You can request a quote for BIM-0004842.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0004842.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0004842.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.