BIM-0039402.P001
TL;DR: BIM-0039402.P001 (CAS 352558-75-9) is a chemical compound with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: BIM-0039402.P001, AH-487/13431007, methyl 1-(2-furylmethyl)-4-{3-nitro-4-methoxybenzylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C20H18N2O7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 3.0692 |
| Topological Polar Surface Area | 112.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1114 |
| Heavy Atoms | 29 |
| Complexity | 1035.1041 |
Chemical Identifiers
| CAS Number | 352558-75-9 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC(=C(C=C2)OC)[N+](=O)[O-])/C(=O)N1CC3=CC=CO3)C(=O)OC |
Product Overview
BIM-0039402.P001 (CAS 352558-75-9), with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol. IUPAC: methyl (4Z)-1-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of BIM-0039402.P001
Property Insights of BIM-0039402.P001
The XLogP value of 3.0692 indicates that BIM-0039402.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039402.P001. Following Lipinski's Rule of Five, BIM-0039402.P001 has 0 hydrogen bond donor(s) and 7 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-0039402.P001?
The CAS number of BIM-0039402.P001 is 352558-75-9.
What is the molecular formula of BIM-0039402.P001?
The molecular formula of BIM-0039402.P001 is C20H18N2O7.
What is the molecular weight of BIM-0039402.P001?
The molecular weight of BIM-0039402.P001 is 398.11 g/mol.
Where can I buy BIM-0039402.P001?
You can request a quote for BIM-0039402.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039402.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039402.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.