![4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid structure](/static/products/7309/730983-60-5.webp)
4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid
TL;DR: 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid (CAS 730983-60-5) is a chemical compound with molecular formula C27H21N3O3 and molecular weight 435.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-cyano-3-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid
Also Known As: 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid, 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid, 4-{2-cyano-3-[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]prop-2-enamido}benzoic acid
| Molecular Formula | C27H21N3O3 |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 5.49122 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.1583 |
| Heavy Atoms | 33 |
| Complexity | 1449.2458 |
Chemical Identifiers
| CAS Number | 730983-60-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid (CAS 730983-60-5), with molecular formula C27H21N3O3 and molecular weight 435.16 g/mol. IUPAC: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid
Property Insights of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid
The XLogP value of 5.49122 indicates that 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid. Following Lipinski's Rule of Five, 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid?
The CAS number of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid is 730983-60-5.
What is the molecular formula of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid?
The molecular formula of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid is C27H21N3O3.
What is the molecular weight of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid?
The molecular weight of 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid is 435.16 g/mol.
Where can I buy 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid?
You can request a quote for 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]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-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.