1L-079
TL;DR: 1L-079 (CAS 477865-61-5) is a chemical compound with molecular formula C14H12F2N2O3 and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-difluorophenyl)iminomethyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Also Known As: 1L-079, Methyl 4-((2,4-difluoroanilino)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 4-[(2,4-difluorophenyl)iminomethyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate, methyl (4Z)-4-{[(2,4-difluorophenyl)amino]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 4-[(2,4-difluoroanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C14H12F2N2O3 |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 2.84412 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0816 |
| Heavy Atoms | 21 |
| Complexity | 723.24945 |
Chemical Identifiers
| CAS Number | 477865-61-5 |
|---|---|
| SMILES | CC1=C(C(=C(N1)O)C=NC2=C(C=C(C=C2)F)F)C(=O)OC |
Product Overview
1L-079 (CAS 477865-61-5), with molecular formula C14H12F2N2O3 and molecular weight 294.08 g/mol. IUPAC: methyl 4-[(2,4-difluorophenyl)iminomethyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 1L-079
Property Insights of 1L-079
The XLogP value of 2.84412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1L-079. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1L-079. Following Lipinski's Rule of Five, 1L-079 has 2 hydrogen bond donor(s) and 4 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 1L-079?
The CAS number of 1L-079 is 477865-61-5.
What is the molecular formula of 1L-079?
The molecular formula of 1L-079 is C14H12F2N2O3.
What is the molecular weight of 1L-079?
The molecular weight of 1L-079 is 294.08 g/mol.
Where can I buy 1L-079?
You can request a quote for 1L-079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-079?
Yes, KEHONG BIO provides custom synthesis services for 1L-079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.