(Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 340229-48-3) 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.
3-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 3-{3-[(1Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid, 3-[3-[2-cyano-2-(naphthalen-2-ylcarbamoyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic Acid, 3-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]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 | 1471.7458 |
Chemical Identifiers
| CAS Number | 340229-48-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C(/C#N)\C(=O)NC3=CC4=CC=CC=C4C=C3 |
Product Overview
(Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 340229-48-3), with molecular formula C27H21N3O3 and molecular weight 435.16 g/mol. IUPAC: 3-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 5.49122 indicates that (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)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 (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)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 (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 340229-48-3.
What is the molecular formula of (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C27H21N3O3.
What is the molecular weight of (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 435.16 g/mol.
Where can I buy (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-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 (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.