(2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid
TL;DR: (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid (CAS 46687-57-4) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-phenyl-2-pyrrol-1-ylpropanoic acid
Also Known As: (S)-3-Phenyl-2-(1H-pyrrol-1-yl)propanoic acid, (2S)-3-PHENYL-2-(1H-PYRROL-1-YL)PROPANOIC ACID, ZERO/005066, (2S)-3-phenyl-2-pyrrol-1-ylpropanoic acid, 3-phenyl-2-(1H-pyrrol-1-yl)propanoic acid
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 46687-57-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C=CC=C2 |
| InChIKey | SSUGRWDGXQIOME-LBPRGKRZSA-N |
Product Overview
(2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid (CAS 46687-57-4), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: (2S)-3-phenyl-2-pyrrol-1-ylpropanoic acid.
Chemical Property Profile of (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid
Property Insights of (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid 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 (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid?
The CAS number of (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid is 46687-57-4.
What is the molecular formula of (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid?
The molecular formula of (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid is C13H13NO2.
What is the molecular weight of (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid?
The molecular weight of (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid is 215.09 g/mol.
Where can I buy (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid?
You can request a quote for (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-Phenyl-2-(1H-pyrrol-1-YL)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.