![4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid structure](/static/products/300/300705-17-3.png)
4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid
TL;DR: 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid (CAS 300705-17-3) is a chemical compound with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylideneamino]benzoic acid
Also Known As: 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid, 4-[(4-methoxycarbonyl-5-methyl-3-phenylpyrrol-2-ylidene)methylamino]benzoic acid, 4-[[(E)-(4-methoxycarbonyl-5-methyl-3-phenylpyrrol-2-ylidene)methyl]amino]benzoic acid, 4-[[(Z)-(4-methoxycarbonyl-5-methyl-3-phenylpyrrol-2-ylidene)methyl]amino]benzoic acid, (E)-4-(((4-(methoxycarbonyl)-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylene)amino)benzoic acid
| Molecular Formula | C21H18N2O4 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 4.22552 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.12665 |
| Heavy Atoms | 27 |
| Complexity | 1002.66583 |
Chemical Identifiers
| CAS Number | 300705-17-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C(=O)OC |
Product Overview
4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid (CAS 300705-17-3), with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol. IUPAC: 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylideneamino]benzoic acid.
Chemical Property Profile of 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid
Property Insights of 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid
The XLogP value of 4.22552 indicates that 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid. Following Lipinski's Rule of Five, 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid has 2 hydrogen bond donor(s) and 4 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-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid?
The CAS number of 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid is 300705-17-3.
What is the molecular formula of 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid?
The molecular formula of 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid is C21H18N2O4.
What is the molecular weight of 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid?
The molecular weight of 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid is 362.13 g/mol.
Where can I buy 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid?
You can request a quote for 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]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-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.