2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid
TL;DR: 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid (CAS 23391-53-9) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpyrrol-2-yl)but-2-enedioic acid
Also Known As: 2-(1-benzylpyrrol-2-yl)but-2-enedioic acid, (E)-2-(1-benzylpyrrol-2-yl)but-2-enedioic acid
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 23391-53-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CC=C2C(=CC(=O)O)C(=O)O |
| InChIKey | JZMWZRWOFRMKBM-UHFFFAOYSA-N |
Product Overview
2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid (CAS 23391-53-9), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: 2-(1-benzylpyrrol-2-yl)but-2-enedioic acid.
Chemical Property Profile of 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid
Property Insights of 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid. Following Lipinski's Rule of Five, 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid has 2 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 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid?
The CAS number of 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid is 23391-53-9.
What is the molecular formula of 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid?
The molecular formula of 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid is C15H13NO4.
What is the molecular weight of 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid?
The molecular weight of 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid is 271.08 g/mol.
Where can I buy 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid?
You can request a quote for 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.