1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-
TL;DR: 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- (CAS 60352-49-0) is a chemical compound with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)-5-methylpyrrol-2-yl]acetic acid
Also Known As: 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-, 1-(4-Chlorophenyl)-5-methyl-1H-pyrrole-2-acetic acid, 2-[1-(4-chlorophenyl)-5-methylpyrrol-2-yl]acetic acid, [1-(4-chlorophenyl)-5-methyl-1H-pyrrol-2-yl]acetic acid, BRN 0405708
| Molecular Formula | C13H12ClNO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 3.06622 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.05565 |
| Heavy Atoms | 17 |
| Complexity | 543.0471 |
Chemical Identifiers
| CAS Number | 60352-49-0 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)Cl)CC(=O)O |
Product Overview
1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- (CAS 60352-49-0), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-5-methylpyrrol-2-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-
Property Insights of 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-
The XLogP value of 3.06622 indicates that 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- 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 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-?
The CAS number of 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- is 60352-49-0.
What is the molecular formula of 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-?
The molecular formula of 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- is C13H12ClNO2.
What is the molecular weight of 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-?
The molecular weight of 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- is 249.06 g/mol.
Where can I buy 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl-?
You can request a quote for 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- 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, 1-(4-chlorophenyl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-acetic acid, 1-(4-chlorophenyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.