1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-
TL;DR: 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- (CAS 42780-06-3) 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-(4-chlorophenyl)-2-methyl-5-(4-methylphenyl)pyrrol-3-yl]acetic acid
Also Known As: Cyclohexanon-azin, 5-22-03-00292 (Beilstein Handbook Reference), 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-, 2-[1-2-methyl-5- pyrrol-3-yl]aceticacid, 2-[1- -2-methyl-5- pyrrol-3-yl]aceticacid
| 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 | 427.0 |
Chemical Identifiers
| CAS Number | 42780-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)Cl)C)CC(=O)O |
| InChIKey | XMZIJZRQONCISB-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- (CAS 42780-06-3), with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-2-methyl-5-(4-methylphenyl)pyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-
Property Insights of 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-
The XLogP value of 4.8 indicates that 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- 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-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- 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-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-?
The CAS number of 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- is 42780-06-3.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- is C20H18ClNO2.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- is 339.10 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-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-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.