1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-
TL;DR: 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- (CAS 42780-00-7) is a chemical compound with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chloro-4-methylphenyl)-2-methyl-5-phenylpyrrol-3-yl]acetic acid
Also Known As: 5-22-03-00278 (Beilstein Handbook Reference), 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-, 1-(3-Chloro-4-methylphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-acetic acid, [1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]acetic acid, 2-[1-(3-chloro-4-methylphenyl)-2-methyl-5-phenylpyrrol-3-yl]acetic acid
| Molecular Formula | C20H18ClNO2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.1026 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 42780-00-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C=C2C3=CC=CC=C3)CC(=O)O)C)Cl |
| InChIKey | JOVXGRJAFQSVSG-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- (CAS 42780-00-7), with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol. IUPAC: 2-[1-(3-chloro-4-methylphenyl)-2-methyl-5-phenylpyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-
Property Insights of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-
The XLogP value of 4.8 indicates that 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- 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 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-?
The CAS number of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- is 42780-00-7.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- is C20H18ClNO2.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- is 339.10 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.