![[3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid structure](/static/products/869/869682-12-2.png)
[3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid
TL;DR: [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid (CAS 869682-12-2) 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.
2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]acetic acid
Also Known As: [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid|A4121/0175722|2-[3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid|[3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]acetic acid|2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]acetic acid|2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]acetic acid|3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-ylacetic acid|(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(2-ETHOXY-PHENOXY)-2-PYRROLIDINECARBOXYLIC ACID|2-(3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl)acetic acid|2-(3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl)aceticacid|MFCD07800640|ALBB-006751
| Molecular Formula | C16H16FNO4 |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 2.86392 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.10632 |
| Heavy Atoms | 22 |
| Complexity | 703.681 |
Chemical Identifiers
| CAS Number | 869682-12-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)O)C |
Product Overview
[3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid (CAS 869682-12-2), with molecular formula C16H16FNO4 and molecular weight 305.11 g/mol. IUPAC: 2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]acetic acid.
Chemical Property Profile of [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid
Property Insights of [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid
The XLogP value of 2.86392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid. Following Lipinski's Rule of Five, [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid 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 [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid?
The CAS number of [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid is 869682-12-2.
What is the molecular formula of [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid?
The molecular formula of [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid is C16H16FNO4.
What is the molecular weight of [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid?
The molecular weight of [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid is 305.11 g/mol.
Where can I buy [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid?
You can request a quote for [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.