4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid
TL;DR: 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid (CAS 196518-58-8) is a chemical compound with molecular formula C22H19NO3 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(5,8-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid
Also Known As: J1.273.371B, 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid, Benzoic acid, 4-(5-(5,8-dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)-, 4-[5-(5,8-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic Acid, 4-[5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-2-pyrrolyl]benzoic acid
| Molecular Formula | C22H19NO3 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 4.92974 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1365 |
| Heavy Atoms | 26 |
| Complexity | 1026.041 |
Chemical Identifiers
| CAS Number | 196518-58-8 |
|---|---|
| SMILES | CC1=C2C=C(COC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O |
Product Overview
4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid (CAS 196518-58-8), with molecular formula C22H19NO3 and molecular weight 345.14 g/mol. IUPAC: 4-[5-(5,8-dimethyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid.
Chemical Property Profile of 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid
Property Insights of 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid
The XLogP value of 4.92974 indicates that 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid has 2 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 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid?
The CAS number of 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid is 196518-58-8.
What is the molecular formula of 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid?
The molecular formula of 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid is C22H19NO3.
What is the molecular weight of 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid?
The molecular weight of 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid is 345.14 g/mol.
Where can I buy 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid?
You can request a quote for 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.