![3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid structure](/static/products/6932/693256-44-9.webp)
3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
TL;DR: 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid (CAS 693256-44-9) is a chemical compound with molecular formula C21H18BrNO4 and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-bromophenyl)-1-(4-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid
Also Known As: CBKinase1_003215, CBKinase1_015615, BRD-K62183445-001-01-5, 3-[5-(4-bromophenyl)-1-(4-methoxycarbonylphenyl)pyrrol-2-yl]propanoic Acid, 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
| Molecular Formula | C21H18BrNO4 |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 4.7106 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.04193 |
| Heavy Atoms | 27 |
| Complexity | 958.8516 |
Chemical Identifiers
| CAS Number | 693256-44-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O |
Product Overview
3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid (CAS 693256-44-9), with molecular formula C21H18BrNO4 and molecular weight 427.04 g/mol. IUPAC: 3-[5-(4-bromophenyl)-1-(4-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Property Insights of 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
The XLogP value of 4.7106 indicates that 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid has 1 hydrogen bond donor(s) and 3 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 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid?
The CAS number of 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid is 693256-44-9.
What is the molecular formula of 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid?
The molecular formula of 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid is C21H18BrNO4.
What is the molecular weight of 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid?
The molecular weight of 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid is 427.04 g/mol.
Where can I buy 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid?
You can request a quote for 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-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-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.