BIM-0039549.P001
TL;DR: BIM-0039549.P001 (CAS 5969-38-0) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-[(4-methoxyphenyl)methyl]-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxopyrrole-3-carboxylate
Also Known As: BIM-0039549.P001, AH-487/13431008, methyl (4Z)-1-[(4-methoxyphenyl)methyl]-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxopyrrole-3-carboxylate, methyl 1-(4-methoxybenzyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-1-[(4-METHOXYPHENYL)METHYL]-2-METHYL-4-[(4-NITROPHENYL)METHYLIDENE]-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.4762 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 1052.0403 |
Chemical Identifiers
| CAS Number | 5969-38-0 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1CC3=CC=C(C=C3)OC)C(=O)OC |
Product Overview
BIM-0039549.P001 (CAS 5969-38-0), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: methyl (4Z)-1-[(4-methoxyphenyl)methyl]-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of BIM-0039549.P001
Property Insights of BIM-0039549.P001
The XLogP value of 3.4762 indicates that BIM-0039549.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039549.P001. Following Lipinski's Rule of Five, BIM-0039549.P001 has 0 hydrogen bond donor(s) and 6 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-0039549.P001?
The CAS number of BIM-0039549.P001 is 5969-38-0.
What is the molecular formula of BIM-0039549.P001?
The molecular formula of BIM-0039549.P001 is C22H20N2O6.
What is the molecular weight of BIM-0039549.P001?
The molecular weight of BIM-0039549.P001 is 408.13 g/mol.
Where can I buy BIM-0039549.P001?
You can request a quote for BIM-0039549.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039549.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039549.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.