3L-034
TL;DR: 3L-034 (CAS 338413-27-7) is a chemical compound with molecular formula C15H13F3N2O4 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-hydroxy-2-methyl-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-1H-pyrrole-3-carboxylate
Also Known As: 3L-034, methyl 2-methyl-5-oxo-4-{[4-(trifluoromethoxy)anilino]methylene}-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-2-methyl-5-oxo-4-({[4-(trifluoromethoxy)phenyl]amino}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 5-hydroxy-2-methyl-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-1H-pyrrole-3-carboxylate, methyl 2-methyl-5-oxo-4-[[4-(trifluoromethoxy)anilino]methylidene]-1H-pyrrole-3-carboxylate
| Molecular Formula | C15H13F3N2O4 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 3.46452 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.08273 |
| Heavy Atoms | 24 |
| Complexity | 764.2617 |
Chemical Identifiers
| CAS Number | 338413-27-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1)O)C=NC2=CC=C(C=C2)OC(F)(F)F)C(=O)OC |
Product Overview
3L-034 (CAS 338413-27-7), with molecular formula C15H13F3N2O4 and molecular weight 342.08 g/mol. IUPAC: methyl 5-hydroxy-2-methyl-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 3L-034
Property Insights of 3L-034
The XLogP value of 3.46452 indicates that 3L-034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3L-034. Following Lipinski's Rule of Five, 3L-034 has 2 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 3L-034?
The CAS number of 3L-034 is 338413-27-7.
What is the molecular formula of 3L-034?
The molecular formula of 3L-034 is C15H13F3N2O4.
What is the molecular weight of 3L-034?
The molecular weight of 3L-034 is 342.08 g/mol.
Where can I buy 3L-034?
You can request a quote for 3L-034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3L-034?
Yes, KEHONG BIO provides custom synthesis services for 3L-034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.