1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-
TL;DR: 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- (CAS 42779-91-9) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-, 1-(3-Chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid, [1-(3-Chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid, 2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid, BRN 0411879
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 3.68306 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 643.8354 |
Chemical Identifiers
| CAS Number | 42779-91-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)CC(=O)O)C)Cl |
Product Overview
1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- (CAS 42779-91-9), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: 2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-
Property Insights of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-
The XLogP value of 3.68306 indicates that 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- 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-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- 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)-2,5-dimethyl- 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-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-?
The CAS number of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- is 42779-91-9.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- is C15H16ClNO2.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- is 277.09 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- 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)-2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.