BAS 00678997
TL;DR: BAS 00678997 (CAS 560-30-5) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1H-pyrrole-3-carboxylate
Also Known As: BAS 00678997, AB00089169-01, methyl (4Z)-2-methyl-4-(4-methylbenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, 1h-pyrrole-3-carboxylic acid,4,5-dihydro-2-methyl-4-[(4-methylphenyl)methylene]-5-oxo-, methyl ester,(4z)-, methyl 5-methyl-3-[(4-methylphenyl)methylene]-2-oxoazoline-4-carboxylate
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 1.95522 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 594.32166 |
Chemical Identifiers
| CAS Number | 560-30-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=C(NC2=O)C)C(=O)OC |
Product Overview
BAS 00678997 (CAS 560-30-5), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: methyl (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1H-pyrrole-3-carboxylate.
Chemical Property Profile of BAS 00678997
Property Insights of BAS 00678997
The XLogP value of 1.95522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00678997. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00678997 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00678997 has 1 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 BAS 00678997?
The CAS number of BAS 00678997 is 560-30-5.
What is the molecular formula of BAS 00678997?
The molecular formula of BAS 00678997 is C15H15NO3.
What is the molecular weight of BAS 00678997?
The molecular weight of BAS 00678997 is 257.11 g/mol.
Where can I buy BAS 00678997?
You can request a quote for BAS 00678997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00678997?
Yes, KEHONG BIO provides custom synthesis services for BAS 00678997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.