1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-
TL;DR: 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- (CAS 522663-99-6) 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.
2-[5-(4-methylphenyl)-1H-pyrrol-2-yl]acetic acid
Also Known As: 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-, 2-[5-(4-methylphenyl)-1H-pyrrol-2-yl]acetic Acid, [5-(4-Methylphenyl)-1H-pyrrol-2-yl]acetic acid
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.61722 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 496.90607 |
Chemical Identifiers
| CAS Number | 522663-99-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=C(N2)CC(=O)O |
Product Overview
1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- (CAS 522663-99-6), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 2-[5-(4-methylphenyl)-1H-pyrrol-2-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-
Property Insights of 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-
The XLogP value of 2.61722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-. With a topological polar surface area (TPSA) of 53.09 Ų, 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- has 2 hydrogen bond donor(s) and 1 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 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-?
The CAS number of 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- is 522663-99-6.
What is the molecular formula of 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-?
The molecular formula of 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- is C13H13NO2.
What is the molecular weight of 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-?
The molecular weight of 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- is 215.09 g/mol.
Where can I buy 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-?
You can request a quote for 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-acetic acid, 5-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.