![2-[4-(1H-吡咯-1-基)苯基]乙酸 structure](/static/products/2204/22048-71-1.webp)
2-[4-(1H-吡咯-1-基)苯基]乙酸
TL;DR: 2-[4-(1H-吡咯-1-基)苯基]乙酸 (CAS 22048-71-1) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1H-吡咯-1-基)苯基]乙酸
2-(4-pyrrol-1-ylphenyl)acetic acid
Also Known As: [4-(1H-pyrrol-1-yl)phenyl]acetic acid|(4-Pyrrol-1-yl-phenyl)-acetic acid|2-(4-(1H-pyrrol-1-yl)phenyl)acetic acid|2-(4-pyrrol-1-ylphenyl)acetic acid|[4- phenyl]aceticacid|4-(1-Pyrryl)phenylacetic acid|Benzeneacetic acid, 4-(1H-pyrrol-1-yl)-|Acido 4-(1-pirril)fenilacetco|Oprea1_211914|(p-(1-Pyrrolyl)phenyl)acetic acid|2-[4-(1H-pyrrol-1-yl)phenyl]acetic acid|p-(1-Pyrryl)-phenylessigsaeure|2-(4-pyrrolylphenyl)acetic acid|KS-00003TGD|4-(1-Pyrrolyl)phenylacetic Acid|[4-(pyrrol-1-yl)phenyl]acetic acid|N-(4-Carboxymethene)phenylpyrrole|Acido 4-(1-pirril)fenilacetco [Italian]|(4-Pyrrol-1-yl-phenyl)-aceticacid|ACETIC ACID, (p-(1-PYRROLYL)PHENYL)-|7524AD|2-[4-(1-pyrrolyl)phenyl]acetic acid|4-(1H-pyrrol-1-yl)phenylacetic Acid|2-(4-pyrrol-1-ylphenyl)ethanoic acid
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| Solubility | >30.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 22048-71-1 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)O |
| InChIKey | KCZGWRZYJZGMQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[4-(1H-吡咯-1-基)苯基]乙酸 (CAS 22048-71-1), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 2-(4-pyrrol-1-ylphenyl)acetic acid.
Chemical Property Profile of 2-[4-(1H-吡咯-1-基)苯基]乙酸
Property Insights of 2-[4-(1H-吡咯-1-基)苯基]乙酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1H-吡咯-1-基)苯基]乙酸. With a topological polar surface area (TPSA) of 42.2 Ų, 2-[4-(1H-吡咯-1-基)苯基]乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (对-(1-吡咯基)苯基)乙酸 has 1 hydrogen bond donor(s) and 2 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 (对-(1-吡咯基)苯基)乙酸?
The CAS number of (对-(1-吡咯基)苯基)乙酸 is 22048-71-1.
What is the molecular formula of (对-(1-吡咯基)苯基)乙酸?
The molecular formula of (对-(1-吡咯基)苯基)乙酸 is C12H11NO2.
What is the molecular weight of (对-(1-吡咯基)苯基)乙酸?
The molecular weight of (对-(1-吡咯基)苯基)乙酸 is 201.08 g/mol.
Where can I buy (对-(1-吡咯基)苯基)乙酸?
You can request a quote for (对-(1-吡咯基)苯基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (对-(1-吡咯基)苯基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (对-(1-吡咯基)苯基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.