BAS 00881156
TL;DR: BAS 00881156 (CAS 5729-30-6) is a chemical compound with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1H-pyrrole-3-carboxylate
Also Known As: BAS 00881156, BIM-0029216.P001, methyl 2-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-2-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1H-pyrrole-3-carboxylate
| Molecular Formula | C14H12N2O5 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.555 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.07462 |
| Heavy Atoms | 21 |
| Complexity | 703.07086 |
Chemical Identifiers
| CAS Number | 5729-30-6 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N1)C(=O)OC |
Product Overview
BAS 00881156 (CAS 5729-30-6), with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol. IUPAC: methyl (4Z)-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1H-pyrrole-3-carboxylate.
Chemical Property Profile of BAS 00881156
Property Insights of BAS 00881156
The XLogP value of 1.555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00881156. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00881156. Following Lipinski's Rule of Five, BAS 00881156 has 1 hydrogen bond donor(s) and 5 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 BAS 00881156?
The CAS number of BAS 00881156 is 5729-30-6.
What is the molecular formula of BAS 00881156?
The molecular formula of BAS 00881156 is C14H12N2O5.
What is the molecular weight of BAS 00881156?
The molecular weight of BAS 00881156 is 288.07 g/mol.
Where can I buy BAS 00881156?
You can request a quote for BAS 00881156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00881156?
Yes, KEHONG BIO provides custom synthesis services for BAS 00881156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.