![3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid structure](/static/products/6838/683808-72-2.webp)
3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid
TL;DR: 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid (CAS 683808-72-2) is a chemical compound with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)pyrrol-2-yl]propanoic acid
Also Known As: 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid, 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)pyrrol-2-yl]propanoic Acid, 3-(5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl)propanoic acid
| Molecular Formula | C21H20BrNO2 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 5.54084 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.06775 |
| Heavy Atoms | 25 |
| Complexity | 910.1455 |
Chemical Identifiers
| CAS Number | 683808-72-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O)C |
Product Overview
3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid (CAS 683808-72-2), with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol. IUPAC: 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)pyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid
Property Insights of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid
The XLogP value of 5.54084 indicates that 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid?
The CAS number of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid is 683808-72-2.
What is the molecular formula of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid?
The molecular formula of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid is C21H20BrNO2.
What is the molecular weight of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid?
The molecular weight of 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid is 397.07 g/mol.
Where can I buy 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid?
You can request a quote for 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(4-bromophenyl)-1-(2,3-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.