BIM-0038804.P001
TL;DR: BIM-0038804.P001 (CAS 5952-40-9) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-ethyl-2-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrrole-3-carboxylate
Also Known As: BIM-0038804.P001, methyl 1-ethyl-2-methyl-4-(4-methylbenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-ethyl-2-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrrole-3-carboxylate, (Z)-methyl 1-ethyl-2-methyl-4-(4-methylbenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-ethyl-2-methyl-4-(4-methylbenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.68752 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 638.50397 |
Chemical Identifiers
| CAS Number | 5952-40-9 |
|---|---|
| SMILES | CCN1C(=C(/C(=C/C2=CC=C(C=C2)C)/C1=O)C(=O)OC)C |
Product Overview
BIM-0038804.P001 (CAS 5952-40-9), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: methyl (4Z)-1-ethyl-2-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of BIM-0038804.P001
Property Insights of BIM-0038804.P001
The XLogP value of 2.68752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0038804.P001. With a topological polar surface area (TPSA) of 46.61 Ų, BIM-0038804.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0038804.P001 has 0 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-0038804.P001?
The CAS number of BIM-0038804.P001 is 5952-40-9.
What is the molecular formula of BIM-0038804.P001?
The molecular formula of BIM-0038804.P001 is C17H19NO3.
What is the molecular weight of BIM-0038804.P001?
The molecular weight of BIM-0038804.P001 is 285.14 g/mol.
Where can I buy BIM-0038804.P001?
You can request a quote for BIM-0038804.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038804.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038804.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.