1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl-
TL;DR: 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl- (CAS 42780-23-4) is a chemical compound with molecular formula C14H14BrNO2 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Also Known As: Cyclohexanon-azin, 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl-, 2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid, 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid, 1H-Pyrrole-3-aceticacid, 1-(4-bromophenyl)-2,5-dimethyl-
| Molecular Formula | C14H14BrNO2 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.02078 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 42780-23-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)CC(=O)O |
| InChIKey | RKZFEYDWVDEQTM-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl- (CAS 42780-23-4), with molecular formula C14H14BrNO2 and molecular weight 307.02 g/mol. IUPAC: 2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl-
Property Insights of 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl-
The XLogP value of 3.3 indicates that 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-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-(4-bromophenyl)-2,5-dimethyl- 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-bromophenyl)-2,5-dimethyl-?
The CAS number of 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl- is 42780-23-4.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl- is C14H14BrNO2.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl- is 307.02 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-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-(4-bromophenyl)-2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 1-(4-bromophenyl)-2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.