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1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid
TL;DR: 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid (CAS 149609-85-8) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]pyrrole-2-carboxylic acid
Also Known As: 1-(4-chlorobenzyl)-1H-pyrrole-2-carboxylic acid, 1-[(4-Chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid, 1-[(4-chlorophenyl)methyl]pyrrole-2-carboxylic Acid, F0921-7319, 1-((4-Chlorophenyl)methyl)-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C12H10ClNO2 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 2.888 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.04001 |
| Heavy Atoms | 16 |
| Complexity | 501.99225 |
Chemical Identifiers
| CAS Number | 149609-85-8 |
|---|---|
| SMILES | C1=CN(C(=C1)C(=O)O)CC2=CC=C(C=C2)Cl |
Product Overview
1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid (CAS 149609-85-8), with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]pyrrole-2-carboxylic acid.
Chemical Property Profile of 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid
Property Insights of 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid has 1 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 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid?
The CAS number of 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid is 149609-85-8.
What is the molecular formula of 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid?
The molecular formula of 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid is C12H10ClNO2.
What is the molecular weight of 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid?
The molecular weight of 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid is 235.04 g/mol.
Where can I buy 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid?
You can request a quote for 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.