dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 866142-66-7) is a chemical compound with molecular formula C16H16FNO4 and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-[(4-fluorophenyl)methyl]-5-methylpyrrole-2,4-dicarboxylate
Also Known As: dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, dimethyl 1-[(4-fluorophenyl)methyl]-5-methylpyrrole-2,4-dicarboxylate, 2,4-dimethyl 1-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2,4-dicarboxylate, Dimethyl 1-[(4-fluorophenyl)methyl]-5-methyl-pyrrole-2,4-dicarboxylate, Dimethyl 1-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C16H16FNO4 |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 2.55712 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.10632 |
| Heavy Atoms | 22 |
| Complexity | 703.681 |
Chemical Identifiers
| CAS Number | 866142-66-7 |
|---|---|
| SMILES | CC1=C(C=C(N1CC2=CC=C(C=C2)F)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 866142-66-7), with molecular formula C16H16FNO4 and molecular weight 305.11 g/mol. IUPAC: dimethyl 1-[(4-fluorophenyl)methyl]-5-methylpyrrole-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 2.55712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate. With a topological polar surface area (TPSA) of 57.53 Ų, dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate has 0 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 dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is 866142-66-7.
What is the molecular formula of dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is C16H16FNO4.
What is the molecular weight of dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is 305.11 g/mol.
Where can I buy dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.